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update for package rename in upstream

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This commit is contained in:
Axel Kohlmeyer
2021-07-03 15:38:24 -04:00
parent 430e7e962f
commit de3ac9d440
5 changed files with 16 additions and 21 deletions
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4
doc/src/compute_efield_atom.rst
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@ -25,8 +25,8 @@ Used in input scripts:
.. parsed-literal::
examples/USER/dielectric/in.confined
examples/USER/dielectric/in.nopbc
examples/PACKAGES/dielectric/in.confined
examples/PACKAGES/dielectric/in.nopbc
Description
"""""""""""

5
doc/src/fix_polarize.rst
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@ -38,9 +38,8 @@ Used in input scripts:
.. parsed-literal::
examples/USER/dielectric/in.confined
examples/USER/dielectric/in.nopbc
examples/PACKAGES/dielectric/in.confined
examples/PACKAGES/dielectric/in.nopbc
Description
"""""""""""

11
doc/src/pair_dielectric.rst
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@ -36,11 +36,6 @@ pair_style lj/long/coul/long/dielectric command
Syntax
""""""
TODO FIX the rest of the file
Syntax
""""""
.. code-block:: LAMMPS
pair_style style args
@ -71,8 +66,8 @@ Used in input scripts:
.. parsed-literal::
examples/USER/dielectric/in.confined
examples/USER/dielectric/in.nopbc
examples/PACKAGES/dielectric/in.confined
examples/PACKAGES/dielectric/in.nopbc
Description
"""""""""""
@ -115,7 +110,7 @@ This pair style can only be used via the *pair* keyword of the
Restrictions
""""""""""""
These styles are part of the USER-DIELECTRIC package. They are only enabled if
These styles are part of the DIELECTRIC package. They are only enabled if
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
Related commands

1
src/DIELECTRIC/pppm_disp_dielectric.cpp
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@ -1,3 +1,4 @@
// clang-format off
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/ Sandia National Laboratories

16
src/DIELECTRIC/pppm_disp_dielectric.h
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@ -12,9 +12,9 @@
------------------------------------------------------------------------- */
#ifdef KSPACE_CLASS
KSpaceStyle(pppm/disp/dielectric,PPPMDispDielectric)
// clang-format off
KSpaceStyle(pppm/disp/dielectric,PPPMDispDielectric);
// clang-format on
#else
#ifndef LMP_PPPM_DISP_DIELECTRIC_H
@ -33,20 +33,20 @@ class PPPMDispDielectric : public PPPMDisp {
void qsum_qsq();
void slabcorr(int);
double** efield;
double* phi;
int potflag; // 1/0 if per-atom electrostatic potential phi is needed
double **efield;
double *phi;
int potflag; // 1/0 if per-atom electrostatic potential phi is needed
protected:
virtual void fieldforce_c_ik();
virtual void fieldforce_c_ad();
virtual void fieldforce_c_peratom();
class AtomVecDielectric* avec;
class AtomVecDielectric *avec;
int mu_flag;
};
}
} // namespace LAMMPS_NS
#endif
#endif