1d68769ded
Resolved Conflicts: doc/Manual.txt src/KSPACE/pair_buck_long_coul_long.cpp src/USER-OMP/angle_fourier_omp.cpp src/USER-OMP/angle_fourier_simple_omp.cpp src/USER-OMP/angle_quartic_omp.cpp src/USER-OMP/dihedral_fourier_omp.cpp src/USER-OMP/dihedral_nharmonic_omp.cpp src/USER-OMP/dihedral_quadratic_omp.cpp src/USER-OMP/domain_omp.cpp src/USER-OMP/fix_nh_asphere_omp.cpp src/USER-OMP/fix_nh_omp.cpp src/USER-OMP/fix_nh_sphere_omp.cpp src/USER-OMP/fix_nve_omp.cpp src/USER-OMP/fix_nvt_sllod_omp.cpp src/USER-OMP/pair_dipole_sf_omp.cpp src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp src/math_special.h src/neigh_bond.cpp src/neighbor.h
63 lines
1.3 KiB
C++
63 lines
1.3 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifdef FIX_CLASS
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FixStyle(MINIMIZE,FixMinimize)
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#else
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#ifndef LMP_FIX_MINIMIZE_H
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#define LMP_FIX_MINIMIZE_H
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#include "fix.h"
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namespace LAMMPS_NS {
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class FixMinimize : public Fix {
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friend class MinLineSearch;
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public:
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FixMinimize(class LAMMPS *, int, char **);
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~FixMinimize();
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int setmask();
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void init() {}
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double memory_usage();
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void grow_arrays(int);
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void copy_arrays(int, int, int);
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int pack_exchange(int, double *);
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int unpack_exchange(int, double *);
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void add_vector(int);
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double *request_vector(int);
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void store_box();
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void reset_coords();
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private:
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int nvector;
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int *peratom;
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double **vectors;
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double boxlo[3],boxhi[3];
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void box_swap();
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};
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}
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#endif
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#endif
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/* ERROR/WARNING messages:
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*/
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