forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5705 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
parent
e9f22f70d0
commit
d51c47d9ab
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@ -15,9 +15,9 @@
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Contributing author: Mike Brown (SNL)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "stdlib.h"
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#include "atom_vec_ellipsoid.h"
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#include "lmptype.h"
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#include "math_extra.h"
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#include "atom.h"
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#include "force.h"
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@ -15,11 +15,11 @@
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Contributing author: Eric Simon (Cray)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "math.h"
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#include "string.h"
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#include "stdlib.h"
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#include "dihedral_class2.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "neighbor.h"
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#include "update.h"
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@ -15,11 +15,11 @@
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Contributing author: Eric Simon (Cray)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "math.h"
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#include "string.h"
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#include "stdlib.h"
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#include "improper_class2.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "neighbor.h"
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#include "update.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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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "stdlib.h"
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#include "atom_vec_colloid.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "force.h"
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#include "domain.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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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "stdlib.h"
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#include "atom_vec_dipole.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "domain.h"
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#include "modify.h"
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@ -15,11 +15,11 @@
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Contributing author: Mike Brown (SNL)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "math.h"
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#include "stdio.h"
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#include "stdlib.h"
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#include "pair_cg_cmm_coul_long_gpu.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "atom_vec.h"
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#include "comm.h"
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@ -15,11 +15,11 @@
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Contributing author: Mike Brown (SNL)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "math.h"
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#include "stdio.h"
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#include "stdlib.h"
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#include "pair_cg_cmm_gpu.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "atom_vec.h"
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#include "comm.h"
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Contributing author: Mike Brown (SNL)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "math.h"
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#include "stdio.h"
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#include "stdlib.h"
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#include "pair_gayberne_gpu.h"
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#include "lmptype.h"
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#include "math_extra.h"
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#include "atom.h"
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#include "atom_vec.h"
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Contributing author: Mike Brown (SNL)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "math.h"
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#include "stdio.h"
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#include "stdlib.h"
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#include "pair_lj96_cut_gpu.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "atom_vec.h"
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#include "comm.h"
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Contributing author: Mike Brown (SNL)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "math.h"
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#include "stdio.h"
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#include "stdlib.h"
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#include "pair_lj_charmm_coul_long_gpu.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "atom_vec.h"
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#include "comm.h"
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Contributing author: Mike Brown (SNL)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "math.h"
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#include "stdio.h"
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#include "stdlib.h"
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#include "pair_lj_cut_coul_cut_gpu.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "atom_vec.h"
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#include "comm.h"
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Contributing author: Mike Brown (SNL)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "math.h"
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#include "stdio.h"
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#include "stdlib.h"
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#include "pair_lj_cut_coul_long_gpu.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "atom_vec.h"
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#include "comm.h"
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Contributing author: Mike Brown (SNL)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "math.h"
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#include "stdio.h"
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#include "stdlib.h"
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#include "pair_lj_cut_gpu.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "atom_vec.h"
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#include "comm.h"
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "math.h"
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#include "stdlib.h"
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#include "string.h"
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#include "atom_vec_granular.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "domain.h"
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#include "modify.h"
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Contributing authors: Roy Pollock (LLNL), Paul Crozier (SNL)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "mpi.h"
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#include "string.h"
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#include "stdio.h"
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#include "stdlib.h"
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#include "math.h"
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#include "pppm.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "comm.h"
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#include "neighbor.h"
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#ifndef LMP_PPPM_H
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#define LMP_PPPM_H
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#include "kspace.h"
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#include "lmptype.h"
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#include "kspace.h"
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namespace LAMMPS_NS {
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Contributing author: Tzu-Ray Shan (U Florida, rayshan@ufl.edu)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "mpi.h"
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#include "math.h"
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#include "stdlib.h"
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#include "string.h"
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#include "fix_qeq_comb.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "force.h"
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#include "group.h"
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#ifndef LMP_FIX_QEQ_COMB_H
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#define LMP_FIX_QEQ_COMB_H
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#include "lmptype.h"
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#include "stdio.h"
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#include "fix.h"
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#include "lmptype.h"
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namespace LAMMPS_NS {
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "stdlib.h"
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#include "atom_vec_angle.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "domain.h"
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#include "modify.h"
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "stdlib.h"
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#include "atom_vec_bond.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "domain.h"
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#include "modify.h"
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "stdlib.h"
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#include "atom_vec_full.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "domain.h"
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#include "modify.h"
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "stdlib.h"
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#include "atom_vec_molecular.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "domain.h"
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#include "modify.h"
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "math.h"
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#include "stdlib.h"
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#include "bond_fene.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "neighbor.h"
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#include "domain.h"
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "math.h"
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#include "stdlib.h"
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#include "bond_fene_expand.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "neighbor.h"
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#include "domain.h"
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Contributing author: Paul Crozier (SNL)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "mpi.h"
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#include "math.h"
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#include "stdlib.h"
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#include "dihedral_charmm.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "comm.h"
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#include "neighbor.h"
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Contributing author: Paul Crozier (SNL)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "mpi.h"
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#include "math.h"
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#include "stdlib.h"
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#include "dihedral_harmonic.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "comm.h"
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#include "neighbor.h"
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@ -16,11 +16,11 @@
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Mark Stevens (Sandia)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "math.h"
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#include "stdlib.h"
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#include "mpi.h"
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#include "dihedral_helix.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "neighbor.h"
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#include "domain.h"
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@ -15,10 +15,10 @@
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Contributing author: Mathias Puetz (SNL) and friends
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "math.h"
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#include "stdlib.h"
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#include "dihedral_multi_harmonic.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "neighbor.h"
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#include "domain.h"
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@ -15,10 +15,10 @@
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Contributing author: Mark Stevens (SNL)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "math.h"
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#include "stdlib.h"
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#include "dihedral_opls.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "comm.h"
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#include "neighbor.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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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "mpi.h"
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#include "math.h"
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#include "stdlib.h"
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#include "improper_cvff.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "comm.h"
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#include "neighbor.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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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "mpi.h"
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#include "math.h"
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#include "stdlib.h"
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#include "improper_harmonic.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "comm.h"
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#include "neighbor.h"
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@ -15,10 +15,10 @@
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Contributing author: Mike Parks (SNL)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "float.h"
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#include "stdlib.h"
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#include "atom_vec_peri.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "domain.h"
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#include "modify.h"
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@ -15,10 +15,10 @@
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Contributing author: Aidan Thompson (Sandia)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "stdlib.h"
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#include "string.h"
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#include "fix_reax_bonds.h"
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#include "lmptype.h"
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#include "pair_reax_fortran.h"
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#include "atom.h"
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#include "update.h"
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@ -20,9 +20,9 @@ FixStyle(reax/bonds,FixReaxBonds)
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#ifndef LMP_FIX_REAX_BONDS_H
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#define LMP_FIX_REAX_BONDS_H
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#include "lmptype.h"
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#include "stdio.h"
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#include "fix.h"
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#include "lmptype.h"
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namespace LAMMPS_NS {
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@ -15,10 +15,10 @@
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Contributing author: Mike Brown (SNL)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "stdlib.h"
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#include "string.h"
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#include "fix_event_prd.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "update.h"
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#include "domain.h"
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@ -20,8 +20,8 @@ FixStyle(EVENT/PRD,FixEventPRD)
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#ifndef LMP_FIX_EVENT_PRD_H
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#define LMP_FIX_EVENT_PRD_H
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#include "fix_event.h"
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#include "lmptype.h"
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#include "fix_event.h"
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namespace LAMMPS_NS {
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@ -15,10 +15,10 @@
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Contributing author: Mike Brown (SNL)
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------------------------------------------------------------------------- */
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#include "lmptype.h"
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#include "stdlib.h"
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#include "string.h"
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#include "fix_event_tad.h"
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#include "lmptype.h"
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#include "atom.h"
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#include "update.h"
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#include "domain.h"
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@ -20,8 +20,8 @@ FixStyle(EVENT/TAD,FixEventTAD)
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#ifndef LMP_FIX_EVENT_TAD_H
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#define LMP_FIX_EVENT_TAD_H
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#include "fix_event.h"
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#include "lmptype.h"
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#include "fix_event.h"
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namespace LAMMPS_NS {
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@ -11,12 +11,12 @@
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "lmptype.h"
|
||||
#include "mpi.h"
|
||||
#include "math.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "neb.h"
|
||||
#include "lmptype.h"
|
||||
#include "universe.h"
|
||||
#include "atom.h"
|
||||
#include "update.h"
|
||||
|
|
|
@ -15,12 +15,12 @@
|
|||
Contributing author: Mike Brown (SNL)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "mpi.h"
|
||||
#include "math.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "prd.h"
|
||||
#include "lmptype.h"
|
||||
#include "universe.h"
|
||||
#include "update.h"
|
||||
#include "atom.h"
|
||||
|
|
|
@ -15,11 +15,11 @@
|
|||
Contributing author: Mark Sears (SNL)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "math.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "temper.h"
|
||||
#include "lmptype.h"
|
||||
#include "universe.h"
|
||||
#include "domain.h"
|
||||
#include "atom.h"
|
||||
|
|
|
@ -20,8 +20,8 @@ FixStyle(wall/srd,FixWallSRD)
|
|||
#ifndef LMP_FIX_WALL_SRD_H
|
||||
#define LMP_FIX_WALL_SRD_H
|
||||
|
||||
#include "fix.h"
|
||||
#include "lmptype.h"
|
||||
#include "fix.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -15,9 +15,9 @@
|
|||
Contributing author: Andres Jaramillo-Botero (Caltech)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdlib.h"
|
||||
#include "atom_vec_electron.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "domain.h"
|
||||
#include "modify.h"
|
||||
|
|
|
@ -14,8 +14,8 @@
|
|||
#ifndef LMP_ATOM_H
|
||||
#define LMP_ATOM_H
|
||||
|
||||
#include "pointers.h"
|
||||
#include "lmptype.h"
|
||||
#include "pointers.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -11,9 +11,9 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdlib.h"
|
||||
#include "atom_vec_atomic.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "domain.h"
|
||||
#include "modify.h"
|
||||
|
|
|
@ -11,9 +11,9 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdlib.h"
|
||||
#include "atom_vec_charge.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "domain.h"
|
||||
#include "modify.h"
|
||||
|
|
|
@ -11,10 +11,10 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "atom_vec_hybrid.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "domain.h"
|
||||
#include "modify.h"
|
||||
|
|
|
@ -11,12 +11,12 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "mpi.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "ctype.h"
|
||||
#include "compute.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "domain.h"
|
||||
#include "comm.h"
|
||||
|
|
|
@ -14,8 +14,8 @@
|
|||
#ifndef LMP_COMPUTE_H
|
||||
#define LMP_COMPUTE_H
|
||||
|
||||
#include "pointers.h"
|
||||
#include "lmptype.h"
|
||||
#include "pointers.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -11,10 +11,10 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "string.h"
|
||||
#include "stdlib.h"
|
||||
#include "compute_reduce.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "update.h"
|
||||
#include "domain.h"
|
||||
|
|
|
@ -20,8 +20,8 @@ ComputeStyle(reduce,ComputeReduce)
|
|||
#ifndef LMP_COMPUTE_REDUCE_H
|
||||
#define LMP_COMPUTE_REDUCE_H
|
||||
|
||||
#include "compute.h"
|
||||
#include "lmptype.h"
|
||||
#include "compute.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -20,8 +20,8 @@ ComputeStyle(reduce/region,ComputeReduceRegion)
|
|||
#ifndef LMP_COMPUTE_REDUCE_REGION_H
|
||||
#define LMP_COMPUTE_REDUCE_REGION_H
|
||||
|
||||
#include "compute_reduce.h"
|
||||
#include "lmptype.h"
|
||||
#include "compute_reduce.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -11,11 +11,11 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "math.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "create_atoms.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "atom_vec.h"
|
||||
#include "comm.h"
|
||||
|
|
|
@ -11,10 +11,10 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "delete_atoms.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "atom_vec.h"
|
||||
#include "comm.h"
|
||||
|
|
|
@ -11,11 +11,11 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "mpi.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "displace_atoms.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "modify.h"
|
||||
#include "domain.h"
|
||||
|
|
|
@ -11,12 +11,12 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "mpi.h"
|
||||
#include "math.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "displace_box.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "modify.h"
|
||||
#include "domain.h"
|
||||
|
|
|
@ -11,12 +11,12 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "mpi.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "stdio.h"
|
||||
#include "dump.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "irregular.h"
|
||||
#include "update.h"
|
||||
|
|
|
@ -14,9 +14,9 @@
|
|||
#ifndef LMP_DUMP_H
|
||||
#define LMP_DUMP_H
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdio.h"
|
||||
#include "pointers.h"
|
||||
#include "lmptype.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -16,13 +16,13 @@
|
|||
Axel Kohlmeyer (Temple U), support for groups
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "math.h"
|
||||
#include "inttypes.h"
|
||||
#include "stdio.h"
|
||||
#include "time.h"
|
||||
#include "string.h"
|
||||
#include "dump_dcd.h"
|
||||
#include "lmptype.h"
|
||||
#include "domain.h"
|
||||
#include "atom.h"
|
||||
#include "update.h"
|
||||
|
|
|
@ -14,8 +14,8 @@
|
|||
#ifndef LMP_FIX_H
|
||||
#define LMP_FIX_H
|
||||
|
||||
#include "pointers.h"
|
||||
#include "lmptype.h"
|
||||
#include "pointers.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -11,10 +11,10 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "fix_ave_atom.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "domain.h"
|
||||
#include "update.h"
|
||||
|
|
|
@ -20,9 +20,9 @@ FixStyle(ave/atom,FixAveAtom)
|
|||
#ifndef LMP_FIX_AVE_ATOM_H
|
||||
#define LMP_FIX_AVE_ATOM_H
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdio.h"
|
||||
#include "fix.h"
|
||||
#include "lmptype.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -17,10 +17,10 @@
|
|||
Reese Jones (Sandia)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "fix_ave_correlate.h"
|
||||
#include "lmptype.h"
|
||||
#include "update.h"
|
||||
#include "modify.h"
|
||||
#include "compute.h"
|
||||
|
|
|
@ -20,9 +20,9 @@ FixStyle(ave/correlate,FixAveCorrelate)
|
|||
#ifndef LMP_FIX_AVE_CORRELATE_H
|
||||
#define LMP_FIX_AVE_CORRELATE_H
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdio.h"
|
||||
#include "fix.h"
|
||||
#include "lmptype.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -11,10 +11,10 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "fix_ave_histo.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "update.h"
|
||||
#include "modify.h"
|
||||
|
|
|
@ -20,9 +20,9 @@ FixStyle(ave/histo,FixAveHisto)
|
|||
#ifndef LMP_FIX_AVE_HISTO_H
|
||||
#define LMP_FIX_AVE_HISTO_H
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdio.h"
|
||||
#include "fix.h"
|
||||
#include "lmptype.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -15,10 +15,10 @@
|
|||
Contributing author: Pieter in 't Veld (SNL)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "fix_ave_spatial.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "update.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -20,9 +20,9 @@ FixStyle(ave/spatial,FixAveSpatial)
|
|||
#ifndef LMP_FIX_AVE_SPATIAL_H
|
||||
#define LMP_FIX_AVE_SPATIAL_H
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdio.h"
|
||||
#include "fix.h"
|
||||
#include "lmptype.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -15,10 +15,10 @@
|
|||
Contributing author: Pieter in 't Veld (SNL)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "fix_ave_time.h"
|
||||
#include "lmptype.h"
|
||||
#include "update.h"
|
||||
#include "modify.h"
|
||||
#include "compute.h"
|
||||
|
|
|
@ -20,9 +20,9 @@ FixStyle(ave/time,FixAveTime)
|
|||
#ifndef LMP_FIX_AVE_TIME_H
|
||||
#define LMP_FIX_AVE_TIME_H
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdio.h"
|
||||
#include "fix.h"
|
||||
#include "lmptype.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -20,8 +20,8 @@ FixStyle(dt/reset,FixDtReset)
|
|||
#ifndef LMP_FIX_DT_RESET_H
|
||||
#define LMP_FIX_DT_RESET_H
|
||||
|
||||
#include "fix.h"
|
||||
#include "lmptype.h"
|
||||
#include "fix.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -11,13 +11,13 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "mpi.h"
|
||||
#include "math.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "stdio.h"
|
||||
#include "fix_shake.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "atom_vec.h"
|
||||
#include "update.h"
|
||||
|
|
|
@ -20,8 +20,8 @@ FixStyle(shake,FixShake)
|
|||
#ifndef LMP_FIX_SHAKE_H
|
||||
#define LMP_FIX_SHAKE_H
|
||||
|
||||
#include "fix.h"
|
||||
#include "lmptype.h"
|
||||
#include "fix.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -16,12 +16,12 @@
|
|||
Christian Burisch (Bochum Univeristy, Germany)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "mpi.h"
|
||||
#include "math.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "fix_tmd.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "update.h"
|
||||
#include "modify.h"
|
||||
|
|
|
@ -16,12 +16,12 @@
|
|||
Carolyn Phillips (University of Michigan)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "mpi.h"
|
||||
#include "math.h"
|
||||
#include "string.h"
|
||||
#include "stdlib.h"
|
||||
#include "fix_ttm.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "force.h"
|
||||
#include "update.h"
|
||||
|
|
|
@ -11,13 +11,13 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "math.h"
|
||||
#include "mpi.h"
|
||||
#include "stdio.h"
|
||||
#include "string.h"
|
||||
#include "stdlib.h"
|
||||
#include "group.h"
|
||||
#include "lmptype.h"
|
||||
#include "domain.h"
|
||||
#include "atom.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -14,9 +14,9 @@
|
|||
#ifndef LMP_GROUP_H
|
||||
#define LMP_GROUP_H
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdio.h"
|
||||
#include "pointers.h"
|
||||
#include "lmptype.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -11,9 +11,9 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdlib.h"
|
||||
#include "integrate.h"
|
||||
#include "lmptype.h"
|
||||
#include "update.h"
|
||||
#include "modify.h"
|
||||
#include "compute.h"
|
||||
|
|
|
@ -14,8 +14,8 @@
|
|||
#ifndef LMP_INTEGRATE_H
|
||||
#define LMP_INTEGRATE_H
|
||||
|
||||
#include "pointers.h"
|
||||
#include "lmptype.h"
|
||||
#include "pointers.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -14,11 +14,11 @@
|
|||
// C or Fortran style library interface to LAMMPS
|
||||
// customize by adding new LAMMPS-specific functions
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "mpi.h"
|
||||
#include "string.h"
|
||||
#include "stdlib.h"
|
||||
#include "library.h"
|
||||
#include "lmptype.h"
|
||||
#include "lammps.h"
|
||||
#include "input.h"
|
||||
#include "atom.h"
|
||||
|
|
|
@ -13,7 +13,7 @@
|
|||
|
||||
// define integer data types used by LAMMPS and associated size limits
|
||||
|
||||
// smallint = variables for system on 1 processor (nlocal, nmax, etc)
|
||||
// smallint = variables for on-procesor system (nlocal, nmax, etc)
|
||||
// tagint = variables for atom IDs (tag)
|
||||
// bigint = variables for total system (natoms, ntimestep, etc)
|
||||
|
||||
|
@ -22,24 +22,21 @@
|
|||
// NOTE: 64-bit tagint is not yet supported
|
||||
// bigint can be 32-bit or 64-bit int, must be >= tagint
|
||||
|
||||
// MAXSMALLINT = max value of a smallint
|
||||
// MAXTAGINT = max value of a tagint
|
||||
// MAXBIGINT = max value of a bigint
|
||||
|
||||
// MPI_LMP_TAGINT = MPI data type corresponding to tagint
|
||||
// MPI_LMP_BIGINT = MPI data type corresponding to bigint
|
||||
// MPI_LMP_TAGINT = MPI data type corresponding to a tagint
|
||||
// MPI_LMP_BIGINT = MPI data type corresponding to a bigint
|
||||
|
||||
// NOTE: if your machine/MPI does not support "long long" ints,
|
||||
// but only "long" ints, then you will need to set
|
||||
// MPI_LONG_LONG to MPI_LONG and atoll to atol
|
||||
// but only "long" ints, then you will need to change
|
||||
// MPI_LONG_LONG to MPI_LONG, and atoll to atol
|
||||
|
||||
#ifndef LMP_LMPTYPE_H
|
||||
#define LMP_LMPTYPE_H
|
||||
|
||||
#include "limits.h"
|
||||
#define __STDC_LIMIT_MACROS
|
||||
#include "stdint.h"
|
||||
#define __STDC_FORMAT_MACROS
|
||||
|
||||
#include "limits.h"
|
||||
#include "stdint.h"
|
||||
#include "inttypes.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
|
|
@ -11,12 +11,12 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "mpi.h"
|
||||
#include "stdio.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "memory.h"
|
||||
#include "lmptype.h"
|
||||
#include "error.h"
|
||||
|
||||
using namespace LAMMPS_NS;
|
||||
|
|
|
@ -19,11 +19,11 @@
|
|||
JR Shewchuk, http://www-2.cs.cmu.edu/~jrs/jrspapers.html#cg
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "math.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "min.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "domain.h"
|
||||
#include "comm.h"
|
||||
|
|
|
@ -14,8 +14,8 @@
|
|||
#ifndef LMP_MIN_H
|
||||
#define LMP_MIN_H
|
||||
|
||||
#include "pointers.h"
|
||||
#include "lmptype.h"
|
||||
#include "pointers.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -11,11 +11,11 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "mpi.h"
|
||||
#include "math.h"
|
||||
#include "string.h"
|
||||
#include "min_cg.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "update.h"
|
||||
#include "output.h"
|
||||
|
|
|
@ -11,10 +11,10 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "mpi.h"
|
||||
#include "math.h"
|
||||
#include "min_quickmin.h"
|
||||
#include "lmptype.h"
|
||||
#include "universe.h"
|
||||
#include "atom.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -14,9 +14,9 @@
|
|||
#ifndef LMP_MODIFY_H
|
||||
#define LMP_MODIFY_H
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdio.h"
|
||||
#include "pointers.h"
|
||||
#include "lmptype.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -11,8 +11,8 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "neighbor.h"
|
||||
#include "lmptype.h"
|
||||
#include "neighbor.h"
|
||||
#include "atom.h"
|
||||
#include "force.h"
|
||||
#include "update.h"
|
||||
|
|
|
@ -15,12 +15,12 @@
|
|||
Contributing author (triclinic and multi-neigh) : Pieter in 't Veld (SNL)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "mpi.h"
|
||||
#include "math.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "neighbor.h"
|
||||
#include "lmptype.h"
|
||||
#include "neigh_list.h"
|
||||
#include "neigh_request.h"
|
||||
#include "atom.h"
|
||||
|
|
|
@ -14,8 +14,8 @@
|
|||
#ifndef LMP_OUTPUT_H
|
||||
#define LMP_OUTPUT_H
|
||||
|
||||
#include "pointers.h"
|
||||
#include "lmptype.h"
|
||||
#include "pointers.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -11,12 +11,12 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "math.h"
|
||||
#include "mpi.h"
|
||||
#include "string.h"
|
||||
#include "stdlib.h"
|
||||
#include "read_data.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "atom_vec.h"
|
||||
#include "comm.h"
|
||||
|
|
|
@ -11,13 +11,13 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "mpi.h"
|
||||
#include "string.h"
|
||||
#include "stdlib.h"
|
||||
#include "sys/types.h"
|
||||
#include "dirent.h"
|
||||
#include "read_restart.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "atom_vec.h"
|
||||
#include "domain.h"
|
||||
|
|
|
@ -20,9 +20,9 @@ CommandStyle(read_restart,ReadRestart)
|
|||
#ifndef LMP_READ_RESTART_H
|
||||
#define LMP_READ_RESTART_H
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdio.h"
|
||||
#include "pointers.h"
|
||||
#include "lmptype.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -14,8 +14,8 @@
|
|||
#ifndef LMP_REGION_H
|
||||
#define LMP_REGION_H
|
||||
|
||||
#include "pointers.h"
|
||||
#include "lmptype.h"
|
||||
#include "pointers.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -11,10 +11,10 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "replicate.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "atom_vec.h"
|
||||
#include "atom_vec_hybrid.h"
|
||||
|
|
|
@ -11,10 +11,10 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "run.h"
|
||||
#include "lmptype.h"
|
||||
#include "domain.h"
|
||||
#include "update.h"
|
||||
#include "integrate.h"
|
||||
|
|
|
@ -14,8 +14,8 @@
|
|||
#ifndef LMP_THERMO_H
|
||||
#define LMP_THERMO_H
|
||||
|
||||
#include "pointers.h"
|
||||
#include "lmptype.h"
|
||||
#include "pointers.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -14,8 +14,8 @@
|
|||
#ifndef LMP_UPDATE_H
|
||||
#define LMP_UPDATE_H
|
||||
|
||||
#include "pointers.h"
|
||||
#include "lmptype.h"
|
||||
#include "pointers.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -11,13 +11,13 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "mpi.h"
|
||||
#include "math.h"
|
||||
#include "stdio.h"
|
||||
#include "stdlib.h"
|
||||
#include "string.h"
|
||||
#include "velocity.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "update.h"
|
||||
#include "domain.h"
|
||||
|
|
|
@ -11,10 +11,10 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lmptype.h"
|
||||
#include "mpi.h"
|
||||
#include "string.h"
|
||||
#include "write_restart.h"
|
||||
#include "lmptype.h"
|
||||
#include "atom.h"
|
||||
#include "atom_vec.h"
|
||||
#include "atom_vec_hybrid.h"
|
||||
|
|
Some files were not shown because too many files have changed in this diff Show More
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Reference in New Issue