putting implementation header first in package folder sources
This commit is contained in:
@ -11,8 +11,8 @@
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See the README file in the top-level LAMMPS directory.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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#include <mpi.h>
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#include "compute_erotate_asphere.h"
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#include "compute_erotate_asphere.h"
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#include <mpi.h>
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#include "math_extra.h"
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#include "math_extra.h"
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#include "atom.h"
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#include "atom.h"
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#include "atom_vec_ellipsoid.h"
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#include "atom_vec_ellipsoid.h"
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@ -15,9 +15,9 @@
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Contributing author: Mike Brown (SNL)
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Contributing author: Mike Brown (SNL)
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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#include "compute_temp_asphere.h"
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#include <mpi.h>
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#include <mpi.h>
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#include <cstring>
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#include <cstring>
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#include "compute_temp_asphere.h"
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#include "math_extra.h"
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#include "math_extra.h"
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#include "atom.h"
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#include "atom.h"
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#include "atom_vec_ellipsoid.h"
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#include "atom_vec_ellipsoid.h"
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@ -15,11 +15,11 @@
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Contributing author: Mike Brown (SNL)
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Contributing author: Mike Brown (SNL)
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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#include "fix_nh_asphere.h"
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#include <cstring>
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#include <cstring>
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#include <cstdlib>
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#include <cstdlib>
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#include <cmath>
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#include <cmath>
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#include "math_extra.h"
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#include "math_extra.h"
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#include "fix_nh_asphere.h"
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#include "atom.h"
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#include "atom.h"
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#include "atom_vec_ellipsoid.h"
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#include "atom_vec_ellipsoid.h"
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#include "group.h"
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#include "group.h"
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@ -11,8 +11,8 @@
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See the README file in the top-level LAMMPS directory.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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#include <cstring>
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#include "fix_nph_asphere.h"
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#include "fix_nph_asphere.h"
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#include <cstring>
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#include "modify.h"
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#include "modify.h"
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#include "error.h"
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#include "error.h"
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@ -11,8 +11,8 @@
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See the README file in the top-level LAMMPS directory.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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#include <cstring>
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#include "fix_npt_asphere.h"
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#include "fix_npt_asphere.h"
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#include <cstring>
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#include "modify.h"
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#include "modify.h"
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#include "error.h"
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#include "error.h"
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@ -15,10 +15,10 @@
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Contributing author: Mike Brown (SNL)
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Contributing author: Mike Brown (SNL)
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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#include "fix_nve_asphere.h"
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#include <cmath>
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#include <cmath>
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#include <cstdio>
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#include <cstdio>
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#include <cstring>
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#include <cstring>
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#include "fix_nve_asphere.h"
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#include "math_extra.h"
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#include "math_extra.h"
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#include "atom.h"
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#include "atom.h"
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#include "atom_vec_ellipsoid.h"
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#include "atom_vec_ellipsoid.h"
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@ -11,10 +11,10 @@
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See the README file in the top-level LAMMPS directory.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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#include "fix_nve_asphere_noforce.h"
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#include <cmath>
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#include <cmath>
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#include <cstring>
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#include <cstring>
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#include <cstdlib>
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#include <cstdlib>
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#include "fix_nve_asphere_noforce.h"
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#include "math_extra.h"
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#include "math_extra.h"
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#include "atom.h"
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#include "atom.h"
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#include "atom_vec_ellipsoid.h"
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#include "atom_vec_ellipsoid.h"
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@ -11,10 +11,10 @@
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See the README file in the top-level LAMMPS directory.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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#include "fix_nve_line.h"
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#include <cmath>
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#include <cmath>
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#include <cstdio>
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#include <cstdio>
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#include <cstring>
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#include <cstring>
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#include "fix_nve_line.h"
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#include "atom.h"
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#include "atom.h"
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#include "atom_vec_line.h"
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#include "atom_vec_line.h"
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#include "domain.h"
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#include "domain.h"
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@ -11,10 +11,10 @@
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See the README file in the top-level LAMMPS directory.
|
See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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#include "fix_nve_tri.h"
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#include <cmath>
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#include <cmath>
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#include <cstdio>
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#include <cstdio>
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#include <cstring>
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#include <cstring>
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#include "fix_nve_tri.h"
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#include "math_extra.h"
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#include "math_extra.h"
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#include "atom.h"
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#include "atom.h"
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#include "atom_vec_tri.h"
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#include "atom_vec_tri.h"
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@ -11,8 +11,8 @@
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See the README file in the top-level LAMMPS directory.
|
See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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#include <cstring>
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#include "fix_nvt_asphere.h"
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#include "fix_nvt_asphere.h"
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#include <cstring>
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#include "group.h"
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#include "group.h"
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#include "modify.h"
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#include "modify.h"
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#include "error.h"
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#include "error.h"
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@ -15,11 +15,11 @@
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Contributing author: Mike Brown (SNL)
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Contributing author: Mike Brown (SNL)
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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#include "pair_gayberne.h"
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#include <cmath>
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#include <cmath>
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#include <cstdio>
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#include <cstdio>
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#include <cstdlib>
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#include <cstdlib>
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#include <cstring>
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#include <cstring>
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#include "pair_gayberne.h"
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#include "math_extra.h"
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#include "math_extra.h"
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#include "atom.h"
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#include "atom.h"
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#include "atom_vec_ellipsoid.h"
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#include "atom_vec_ellipsoid.h"
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@ -11,11 +11,11 @@
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See the README file in the top-level LAMMPS directory.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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#include "pair_line_lj.h"
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#include <cmath>
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#include <cmath>
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#include <cstdio>
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#include <cstdio>
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#include <cstdlib>
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#include <cstdlib>
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#include <cstring>
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#include <cstring>
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#include "pair_line_lj.h"
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#include "atom.h"
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#include "atom.h"
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#include "atom_vec_line.h"
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#include "atom_vec_line.h"
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#include "force.h"
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#include "force.h"
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@ -15,11 +15,11 @@
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Contributing author: Mike Brown (SNL)
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Contributing author: Mike Brown (SNL)
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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#include "pair_resquared.h"
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#include <cmath>
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#include <cmath>
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#include <cstdio>
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#include <cstdio>
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#include <cstdlib>
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#include <cstdlib>
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#include <cstring>
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#include <cstring>
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#include "pair_resquared.h"
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#include "math_extra.h"
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#include "math_extra.h"
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#include "atom.h"
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#include "atom.h"
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#include "atom_vec_ellipsoid.h"
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#include "atom_vec_ellipsoid.h"
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@ -11,11 +11,11 @@
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See the README file in the top-level LAMMPS directory.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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#include "pair_tri_lj.h"
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#include <cmath>
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#include <cmath>
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#include <cstdio>
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#include <cstdio>
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#include <cstdlib>
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#include <cstdlib>
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#include <cstring>
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#include <cstring>
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#include "pair_tri_lj.h"
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#include "math_extra.h"
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#include "math_extra.h"
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#include "atom.h"
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#include "atom.h"
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#include "atom_vec_tri.h"
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#include "atom_vec_tri.h"
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@ -11,9 +11,9 @@
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See the README file in the top-level LAMMPS directory.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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#include "body_nparticle.h"
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#include <cstring>
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#include <cstring>
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#include <cstdlib>
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#include <cstdlib>
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#include "body_nparticle.h"
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#include "my_pool_chunk.h"
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#include "my_pool_chunk.h"
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#include "math_extra.h"
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#include "math_extra.h"
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#include "atom_vec_body.h"
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#include "atom_vec_body.h"
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@ -15,9 +15,9 @@
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Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
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Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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#include "body_rounded_polygon.h"
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#include <cstring>
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#include <cstring>
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#include <cstdlib>
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#include <cstdlib>
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#include "body_rounded_polygon.h"
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#include "my_pool_chunk.h"
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#include "my_pool_chunk.h"
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#include "atom_vec_body.h"
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#include "atom_vec_body.h"
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#include "atom.h"
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#include "atom.h"
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@ -15,9 +15,9 @@
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Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
|
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
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|
|
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|
#include "body_rounded_polyhedron.h"
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#include <cstring>
|
#include <cstring>
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#include <cstdlib>
|
#include <cstdlib>
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#include "body_rounded_polyhedron.h"
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|
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#include "my_pool_chunk.h"
|
#include "my_pool_chunk.h"
|
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#include "atom_vec_body.h"
|
#include "atom_vec_body.h"
|
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#include "atom.h"
|
#include "atom.h"
|
||||||
|
|||||||
@ -11,9 +11,9 @@
|
|||||||
See the README file in the top-level LAMMPS directory.
|
See the README file in the top-level LAMMPS directory.
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "compute_body_local.h"
|
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#include <cmath>
|
#include <cmath>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "compute_body_local.h"
|
|
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#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec_body.h"
|
#include "atom_vec_body.h"
|
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#include "body.h"
|
#include "body.h"
|
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|
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@ -16,9 +16,9 @@
|
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based on ComputeTempAsphere
|
based on ComputeTempAsphere
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "compute_temp_body.h"
|
||||||
#include <mpi.h>
|
#include <mpi.h>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "compute_temp_body.h"
|
|
||||||
#include "math_extra.h"
|
#include "math_extra.h"
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec_body.h"
|
#include "atom_vec_body.h"
|
||||||
|
|||||||
@ -16,11 +16,11 @@
|
|||||||
based on FixNHAsphere
|
based on FixNHAsphere
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "fix_nh_body.h"
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include "math_extra.h"
|
#include "math_extra.h"
|
||||||
#include "fix_nh_body.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec_body.h"
|
#include "atom_vec_body.h"
|
||||||
#include "group.h"
|
#include "group.h"
|
||||||
|
|||||||
@ -15,8 +15,8 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
|
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
#include <cstring>
|
|
||||||
#include "fix_nph_body.h"
|
#include "fix_nph_body.h"
|
||||||
|
#include <cstring>
|
||||||
#include "modify.h"
|
#include "modify.h"
|
||||||
#include "error.h"
|
#include "error.h"
|
||||||
|
|
||||||
|
|||||||
@ -15,8 +15,8 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
|
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
#include <cstring>
|
|
||||||
#include "fix_npt_body.h"
|
#include "fix_npt_body.h"
|
||||||
|
#include <cstring>
|
||||||
#include "modify.h"
|
#include "modify.h"
|
||||||
#include "error.h"
|
#include "error.h"
|
||||||
|
|
||||||
|
|||||||
@ -11,10 +11,10 @@
|
|||||||
See the README file in the top-level LAMMPS directory.
|
See the README file in the top-level LAMMPS directory.
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "fix_nve_body.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "fix_nve_body.h"
|
|
||||||
#include "math_extra.h"
|
#include "math_extra.h"
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec_body.h"
|
#include "atom_vec_body.h"
|
||||||
|
|||||||
@ -15,8 +15,8 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
|
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
#include <cstring>
|
|
||||||
#include "fix_nvt_body.h"
|
#include "fix_nvt_body.h"
|
||||||
|
#include <cstring>
|
||||||
#include "group.h"
|
#include "group.h"
|
||||||
#include "modify.h"
|
#include "modify.h"
|
||||||
#include "error.h"
|
#include "error.h"
|
||||||
|
|||||||
@ -15,10 +15,10 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
|
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "fix_wall_body_polygon.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "fix_wall_body_polygon.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec_body.h"
|
#include "atom_vec_body.h"
|
||||||
#include "body_rounded_polygon.h"
|
#include "body_rounded_polygon.h"
|
||||||
|
|||||||
@ -15,10 +15,10 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
|
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "fix_wall_body_polyhedron.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "fix_wall_body_polyhedron.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec_body.h"
|
#include "atom_vec_body.h"
|
||||||
#include "body_rounded_polyhedron.h"
|
#include "body_rounded_polyhedron.h"
|
||||||
|
|||||||
@ -11,11 +11,11 @@
|
|||||||
See the README file in the top-level LAMMPS directory.
|
See the README file in the top-level LAMMPS directory.
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_body_nparticle.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_body_nparticle.h"
|
|
||||||
#include "math_extra.h"
|
#include "math_extra.h"
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec_body.h"
|
#include "atom_vec_body.h"
|
||||||
|
|||||||
@ -18,11 +18,11 @@
|
|||||||
the contact history for friction forces.
|
the contact history for friction forces.
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_body_rounded_polygon.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_body_rounded_polygon.h"
|
|
||||||
#include "math_extra.h"
|
#include "math_extra.h"
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec_body.h"
|
#include "atom_vec_body.h"
|
||||||
|
|||||||
@ -20,11 +20,11 @@
|
|||||||
the contact history for friction forces.
|
the contact history for friction forces.
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_body_rounded_polyhedron.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_body_rounded_polyhedron.h"
|
|
||||||
#include "math_extra.h"
|
#include "math_extra.h"
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec_body.h"
|
#include "atom_vec_body.h"
|
||||||
|
|||||||
@ -15,10 +15,10 @@
|
|||||||
Contributing author: Eric Simon (Cray)
|
Contributing author: Eric Simon (Cray)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "angle_class2.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include "angle_class2.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "neighbor.h"
|
#include "neighbor.h"
|
||||||
#include "domain.h"
|
#include "domain.h"
|
||||||
|
|||||||
@ -15,9 +15,9 @@
|
|||||||
Contributing author: Eric Simon (Cray)
|
Contributing author: Eric Simon (Cray)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "bond_class2.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include "bond_class2.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "neighbor.h"
|
#include "neighbor.h"
|
||||||
#include "domain.h"
|
#include "domain.h"
|
||||||
|
|||||||
@ -15,10 +15,10 @@
|
|||||||
Contributing author: Eric Simon (Cray)
|
Contributing author: Eric Simon (Cray)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "dihedral_class2.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include "dihedral_class2.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "neighbor.h"
|
#include "neighbor.h"
|
||||||
#include "update.h"
|
#include "update.h"
|
||||||
|
|||||||
@ -15,10 +15,10 @@
|
|||||||
Contributing author: Eric Simon (Cray)
|
Contributing author: Eric Simon (Cray)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "improper_class2.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include "improper_class2.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "neighbor.h"
|
#include "neighbor.h"
|
||||||
#include "update.h"
|
#include "update.h"
|
||||||
|
|||||||
@ -9,11 +9,11 @@
|
|||||||
See the README file in the top-level LAMMPS directory.
|
See the README file in the top-level LAMMPS directory.
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_class2.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_class2.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
#include "force.h"
|
#include "force.h"
|
||||||
|
|||||||
@ -11,11 +11,11 @@
|
|||||||
See the README file in the top-level LAMMPS directory.
|
See the README file in the top-level LAMMPS directory.
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_class2_coul_cut.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_class2_coul_cut.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
#include "force.h"
|
#include "force.h"
|
||||||
|
|||||||
@ -11,11 +11,11 @@
|
|||||||
See the README file in the top-level LAMMPS directory.
|
See the README file in the top-level LAMMPS directory.
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_class2_coul_long.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_class2_coul_long.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
#include "force.h"
|
#include "force.h"
|
||||||
|
|||||||
@ -15,9 +15,9 @@
|
|||||||
Contributing authors: Jeremy Lechman (SNL)
|
Contributing authors: Jeremy Lechman (SNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "fix_wall_colloid.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "fix_wall_colloid.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "update.h"
|
#include "update.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing authors: Amit Kumar and Michael Bybee (UIUC)
|
Contributing authors: Amit Kumar and Michael Bybee (UIUC)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_brownian.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_brownian.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -16,11 +16,11 @@
|
|||||||
Dave Heine (Corning), polydispersity
|
Dave Heine (Corning), polydispersity
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_brownian_poly.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_brownian_poly.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Pieter in 't Veld (SNL)
|
Contributing author: Pieter in 't Veld (SNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_colloid.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_colloid.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
#include "force.h"
|
#include "force.h"
|
||||||
|
|||||||
@ -16,11 +16,11 @@
|
|||||||
Amit Kumar and Michael Bybee (UIUC)
|
Amit Kumar and Michael Bybee (UIUC)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lubricate.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lubricate.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,12 +15,12 @@
|
|||||||
Contributing authors: Amit Kumar and Michael Bybee (UIUC)
|
Contributing authors: Amit Kumar and Michael Bybee (UIUC)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lubricateU.h"
|
||||||
#include <mpi.h>
|
#include <mpi.h>
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lubricateU.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -17,12 +17,12 @@
|
|||||||
Dave Heine (Corning), polydispersity
|
Dave Heine (Corning), polydispersity
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lubricateU_poly.h"
|
||||||
#include <mpi.h>
|
#include <mpi.h>
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lubricateU_poly.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -17,11 +17,11 @@
|
|||||||
Dave Heine (Corning), polydispersity
|
Dave Heine (Corning), polydispersity
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lubricate_poly.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lubricate_poly.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,9 +15,9 @@
|
|||||||
Contributing authors: Randy Schunk (Sandia)
|
Contributing authors: Randy Schunk (Sandia)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_yukawa_colloid.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include "pair_yukawa_colloid.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "force.h"
|
#include "force.h"
|
||||||
|
|||||||
@ -16,11 +16,11 @@
|
|||||||
(hendrik.heenen at mytum.com)
|
(hendrik.heenen at mytum.com)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "compute_temp_cs.h"
|
||||||
#include <mpi.h>
|
#include <mpi.h>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include "compute_temp_cs.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "domain.h"
|
#include "domain.h"
|
||||||
|
|||||||
@ -16,11 +16,11 @@
|
|||||||
References: Fennell and Gezelter, JCP 124, 234104 (2006)
|
References: Fennell and Gezelter, JCP 124, 234104 (2006)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_born_coul_dsf_cs.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_born_coul_dsf_cs.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
#include "force.h"
|
#include "force.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Hendrik Heenen (hendrik.heenen@mytum.de)
|
Contributing author: Hendrik Heenen (hendrik.heenen@mytum.de)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_born_coul_long_cs.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_born_coul_long_cs.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
#include "force.h"
|
#include "force.h"
|
||||||
|
|||||||
@ -12,11 +12,11 @@
|
|||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
|
||||||
|
#include "pair_born_coul_wolf_cs.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_born_coul_wolf_cs.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
#include "force.h"
|
#include "force.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Hendrik Heenen (hendrik.heenen@mytum.de)
|
Contributing author: Hendrik Heenen (hendrik.heenen@mytum.de)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_buck_coul_long_cs.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_buck_coul_long_cs.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
#include "force.h"
|
#include "force.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Hendrik Heenen (hendrik.heenen@mytum.de)
|
Contributing author: Hendrik Heenen (hendrik.heenen@mytum.de)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_coul_long_cs.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_coul_long_cs.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
#include "force.h"
|
#include "force.h"
|
||||||
|
|||||||
@ -11,12 +11,11 @@
|
|||||||
See the README file in the top-level LAMMPS directory.
|
See the README file in the top-level LAMMPS directory.
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_coul_wolf_cs.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_coul_wolf_cs.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
#include "force.h"
|
#include "force.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Hendrik Heenen (hendrik.heenen@mytum.de)
|
Contributing author: Hendrik Heenen (hendrik.heenen@mytum.de)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_cut_coul_long_cs.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_cut_coul_long_cs.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
#include "force.h"
|
#include "force.h"
|
||||||
|
|||||||
@ -11,9 +11,9 @@
|
|||||||
See the README file in the top-level LAMMPS directory.
|
See the README file in the top-level LAMMPS directory.
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "atom_vec_dipole.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include "atom_vec_dipole.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
#include "domain.h"
|
#include "domain.h"
|
||||||
|
|||||||
@ -11,10 +11,10 @@
|
|||||||
See the README file in the top-level LAMMPS directory.
|
See the README file in the top-level LAMMPS directory.
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_cut_dipole_cut.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_cut_dipole_cut.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "neighbor.h"
|
#include "neighbor.h"
|
||||||
#include "neigh_list.h"
|
#include "neigh_list.h"
|
||||||
|
|||||||
@ -11,11 +11,11 @@
|
|||||||
See the README file in the top-level LAMMPS directory.
|
See the README file in the top-level LAMMPS directory.
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_cut_dipole_long.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_cut_dipole_long.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
#include "neighbor.h"
|
#include "neighbor.h"
|
||||||
|
|||||||
@ -15,13 +15,13 @@
|
|||||||
Contributing author: Pieter J. in 't Veld and Stan Moore (Sandia)
|
Contributing author: Pieter J. in 't Veld and Stan Moore (Sandia)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_long_dipole_long.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "math_const.h"
|
#include "math_const.h"
|
||||||
#include "math_vector.h"
|
#include "math_vector.h"
|
||||||
#include "pair_lj_long_dipole_long.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
#include "neighbor.h"
|
#include "neighbor.h"
|
||||||
|
|||||||
@ -11,9 +11,9 @@
|
|||||||
See the README file in the top-level LAMMPS directory.
|
See the README file in the top-level LAMMPS directory.
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "fix_gpu.h"
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include "fix_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "force.h"
|
#include "force.h"
|
||||||
#include "pair.h"
|
#include "pair.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ORNL)
|
Contributing author: Trung Dac Nguyen (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_beck_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_beck_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen (Northwestern)
|
Contributing author: Trung Dac Nguyen (Northwestern)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_born_coul_long_cs_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_born_coul_long_cs_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ORNL)
|
Contributing author: Trung Dac Nguyen (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_born_coul_long_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_born_coul_long_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing authors: Trung Dac Nguyen (Northwestern)
|
Contributing authors: Trung Dac Nguyen (Northwestern)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_born_coul_wolf_cs_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_born_coul_wolf_cs_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing authors: Trung Dac Nguyen (ORNL)
|
Contributing authors: Trung Dac Nguyen (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_born_coul_wolf_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_born_coul_wolf_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ORNL)
|
Contributing author: Trung Dac Nguyen (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_born_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_born_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing authors: Trung Dac Nguyen (ORNL)
|
Contributing authors: Trung Dac Nguyen (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_buck_coul_cut_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_buck_coul_cut_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ORNL)
|
Contributing author: Trung Dac Nguyen (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_buck_coul_long_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_buck_coul_long_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ORNL)
|
Contributing author: Trung Dac Nguyen (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_buck_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_buck_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ORNL)
|
Contributing author: Trung Dac Nguyen (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_colloid_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_colloid_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen
|
Contributing author: Trung Dac Nguyen
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_coul_cut_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_coul_cut_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ndtrung@umich.edu)
|
Contributing author: Trung Dac Nguyen (ndtrung@umich.edu)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_coul_debye_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_coul_debye_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ORNL)
|
Contributing author: Trung Dac Nguyen (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_coul_dsf_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_coul_dsf_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Nguyen (Northwestern)
|
Contributing author: Trung Nguyen (Northwestern)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_coul_long_cs_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_coul_long_cs_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Axel Kohlmeyer (Temple)
|
Contributing author: Axel Kohlmeyer (Temple)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_coul_long_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_coul_long_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ORNL)
|
Contributing author: Trung Dac Nguyen (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_dpd_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_dpd_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ORNL)
|
Contributing author: Trung Dac Nguyen (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_dpd_tstat_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_dpd_tstat_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,10 +15,10 @@
|
|||||||
Contributing authors: Trung Dac Nguyen (ORNL), W. Michael Brown (ORNL)
|
Contributing authors: Trung Dac Nguyen (ORNL), W. Michael Brown (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_eam_alloy_gpu.h"
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_eam_alloy_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "force.h"
|
#include "force.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,10 +15,10 @@
|
|||||||
Contributing authors: Trung Dac Nguyen (ORNL), W. Michael Brown (ORNL)
|
Contributing authors: Trung Dac Nguyen (ORNL), W. Michael Brown (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_eam_fs_gpu.h"
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_eam_fs_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "force.h"
|
#include "force.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing authors: Trung Dac Nguyen (ORNL), W. Michael Brown (ORNL)
|
Contributing authors: Trung Dac Nguyen (ORNL), W. Michael Brown (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_eam_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_eam_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "force.h"
|
#include "force.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ORNL)
|
Contributing author: Trung Dac Nguyen (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_gauss_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_gauss_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Mike Brown (SNL)
|
Contributing author: Mike Brown (SNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_gayberne_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_gayberne_gpu.h"
|
|
||||||
#include "math_extra.h"
|
#include "math_extra.h"
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Mike Brown (SNL)
|
Contributing author: Mike Brown (SNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj96_cut_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj96_cut_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Mike Brown (SNL)
|
Contributing author: Mike Brown (SNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_charmm_coul_long_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_charmm_coul_long_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Mike Brown (SNL)
|
Contributing author: Mike Brown (SNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_class2_coul_long_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_class2_coul_long_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Mike Brown (SNL)
|
Contributing author: Mike Brown (SNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_class2_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_class2_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
|
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_cubic_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_cubic_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Mike Brown (SNL)
|
Contributing author: Mike Brown (SNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_cut_coul_cut_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_cut_coul_cut_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ORNL)
|
Contributing author: Trung Dac Nguyen (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_cut_coul_debye_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_cut_coul_debye_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Mike Brown (SNL)
|
Contributing author: Mike Brown (SNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_cut_coul_dsf_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_cut_coul_dsf_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Mike Brown (SNL)
|
Contributing author: Mike Brown (SNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_cut_coul_long_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_cut_coul_long_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ORNL)
|
Contributing author: Trung Dac Nguyen (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_cut_coul_msm_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_cut_coul_msm_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ORNL)
|
Contributing author: Trung Dac Nguyen (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_cut_dipole_cut_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_cut_dipole_cut_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen (Northwestern)
|
Contributing author: Trung Dac Nguyen (Northwestern)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_cut_dipole_long_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_cut_dipole_long_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Mike Brown (SNL)
|
Contributing author: Mike Brown (SNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_cut_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_cut_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Nguyen (Northwestern)
|
Contributing author: Trung Nguyen (Northwestern)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_expand_coul_long_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_expand_coul_long_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Inderaj Bains (NVIDIA), ibains@nvidia.com
|
Contributing author: Inderaj Bains (NVIDIA), ibains@nvidia.com
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_expand_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_expand_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ORNL)
|
Contributing author: Trung Dac Nguyen (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_gromacs_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_gromacs_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Mike Brown (SNL)
|
Contributing author: Mike Brown (SNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_sdk_coul_long_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_sdk_coul_long_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Mike Brown (SNL)
|
Contributing author: Mike Brown (SNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_sdk_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_sdk_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ORNL)
|
Contributing author: Trung Dac Nguyen (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_lj_sf_dipole_sf_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_lj_sf_dipole_sf_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
@ -15,11 +15,11 @@
|
|||||||
Contributing author: Trung Dac Nguyen (ORNL)
|
Contributing author: Trung Dac Nguyen (ORNL)
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
|
#include "pair_mie_cut_gpu.h"
|
||||||
#include <cmath>
|
#include <cmath>
|
||||||
#include <cstdio>
|
#include <cstdio>
|
||||||
#include <cstdlib>
|
#include <cstdlib>
|
||||||
#include <cstring>
|
#include <cstring>
|
||||||
#include "pair_mie_cut_gpu.h"
|
|
||||||
#include "atom.h"
|
#include "atom.h"
|
||||||
#include "atom_vec.h"
|
#include "atom_vec.h"
|
||||||
#include "comm.h"
|
#include "comm.h"
|
||||||
|
|||||||
Some files were not shown because too many files have changed in this diff Show More
Reference in New Issue
Block a user