forked from lijiext/lammps
put implementation header first for all remaining main folder source files
This commit is contained in:
parent
7967cb1133
commit
256531a29a
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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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------------------------------------------------------------------------- */
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#include <mpi.h>
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#include "imbalance_neigh.h"
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#include <mpi.h>
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#include "atom.h"
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#include "comm.h"
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#include "force.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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------------------------------------------------------------------------- */
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#include <cstring>
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#include "imbalance_store.h"
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#include <cstring>
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#include "atom.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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------------------------------------------------------------------------- */
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#include <mpi.h>
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#include "imbalance_time.h"
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#include <mpi.h>
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#include "atom.h"
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#include "force.h"
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#include "timer.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 "imbalance_var.h"
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#include <mpi.h>
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#include <cstring>
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#include "imbalance_var.h"
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#include "atom.h"
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#include "group.h"
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#include "input.h"
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@ -15,8 +15,8 @@
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Contributing author: Axel Kohlmeyer (Temple U)
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------------------------------------------------------------------------- */
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#include <cstring>
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#include "improper_deprecated.h"
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#include <cstring>
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#include "improper_hybrid.h"
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#include "comm.h"
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#include "force.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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------------------------------------------------------------------------- */
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#include "improper_hybrid.h"
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#include <mpi.h>
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#include <cstring>
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#include <cctype>
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#include "improper_hybrid.h"
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#include "atom.h"
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#include "neighbor.h"
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#include "comm.h"
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@ -15,8 +15,8 @@
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Contributing author: Carsten Svaneborg (SDU)
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------------------------------------------------------------------------- */
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#include <cstring>
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#include "improper_zero.h"
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#include <cstring>
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#include "atom.h"
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#include "force.h"
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#include "memory.h"
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@ -16,6 +16,7 @@
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Richard Berger (Temple U)
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------------------------------------------------------------------------- */
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#include "info.h"
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#include <mpi.h>
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#include <cmath>
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#include <cstring>
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@ -23,7 +24,6 @@
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#include <ctime>
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#include <map>
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#include <string>
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#include "info.h"
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#include "accelerator_kokkos.h"
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#include "atom.h"
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#include "comm.h"
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@ -11,6 +11,7 @@
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "input.h"
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#include <mpi.h>
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#include <cstdlib>
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#include <cstring>
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#include <cctype>
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#include <unistd.h>
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#include <sys/stat.h>
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#include "input.h"
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#include "style_command.h"
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#include "universe.h"
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#include "atom.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 "irregular.h"
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#include <mpi.h>
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#include <cstring>
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#include "irregular.h"
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#include "atom.h"
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#include "atom_vec.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 "kspace.h"
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#include <mpi.h>
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#include <cmath>
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#include <cstdlib>
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#include <cstring>
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#include "kspace.h"
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#include "atom.h"
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#include "comm.h"
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#include "force.h"
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Contributing author: Axel Kohlmeyer (Temple U)
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------------------------------------------------------------------------- */
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#include <cstring>
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#include "kspace_deprecated.h"
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#include <cstring>
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#include "comm.h"
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#include "force.h"
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#include "error.h"
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "lammps.h"
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#include <mpi.h>
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#include <cmath>
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#include <cstring>
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#include <cctype>
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#include <map>
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#include <string>
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#include "lammps.h"
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#include "style_angle.h" // IWYU pragma: keep
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#include "style_atom.h" // IWYU pragma: keep
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#include "style_bond.h" // IWYU pragma: keep
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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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------------------------------------------------------------------------- */
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#include "lattice.h"
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#include <cmath>
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#include <cstring>
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#include <cstdlib>
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#include "lattice.h"
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#include "update.h"
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#include "domain.h"
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#include "comm.h"
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@ -14,11 +14,11 @@
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// C or Fortran style library interface to LAMMPS
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// customize by adding new LAMMPS-specific functions
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#include "library.h"
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#include <mpi.h>
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#include <cctype>
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#include <cstring>
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#include <cstdlib>
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#include "library.h"
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#include "universe.h"
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#include "atom_vec.h"
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#include "atom.h"
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include <mpi.h>
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#include "lammps.h"
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#include <mpi.h>
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#include "input.h"
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#if defined(LAMMPS_TRAP_FPE) && defined(_GNU_SOURCE)
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Contributing author: Mike Brown (SNL)
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------------------------------------------------------------------------- */
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#include "math_extra.h"
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#include <cstdio>
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#include <cstring>
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#include "math_extra.h"
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#define MAXJACOBI 50
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#include "math_special.h"
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#include <cmath>
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#include <stdint.h> // IWYU pragma: keep
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#include "math_special.h"
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using 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 <cstdlib>
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#include "memory.h"
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#include <cstdlib>
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#include "error.h"
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#if defined(LMP_USER_INTEL) && defined(__INTEL_COMPILER)
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JR Shewchuk, http://www-2.cs.cmu.edu/~jrs/jrspapers.html#cg
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------------------------------------------------------------------------- */
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#include "min.h"
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#include <mpi.h>
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#include <cmath>
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#include <cstring>
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#include "min.h"
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#include "atom.h"
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#include "atom_vec.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 "min_cg.h"
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#include <mpi.h>
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#include <cmath>
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#include "min_cg.h"
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#include "update.h"
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#include "output.h"
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#include "timer.h"
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "min_fire.h"
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#include <mpi.h>
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#include <cmath>
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#include "min_fire.h"
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#include "universe.h"
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#include "atom.h"
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#include "force.h"
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"Parallel Unconstrained Min", Plantenga, SAND98-8201
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------------------------------------------------------------------------- */
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#include "min_hftn.h"
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#include <mpi.h>
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#include <cmath>
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#include <cstring>
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#include "atom.h"
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#include "fix_minimize.h"
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#include "min_hftn.h"
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#include "modify.h"
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#include "output.h"
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#include "pair.h"
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JR Shewchuk, http://www-2.cs.cmu.edu/~jrs/jrspapers.html#cg
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------------------------------------------------------------------------- */
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#include "min_linesearch.h"
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#include <mpi.h>
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#include <cmath>
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#include "min_linesearch.h"
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#include "atom.h"
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#include "modify.h"
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#include "fix_minimize.h"
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "min_quickmin.h"
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#include <mpi.h>
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#include <cmath>
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#include "min_quickmin.h"
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#include "universe.h"
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#include "atom.h"
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#include "force.h"
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include <cmath>
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#include "min_sd.h"
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#include <cmath>
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#include "update.h"
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#include "output.h"
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#include "timer.h"
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include <cstring>
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#include "modify.h"
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#include <cstring>
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#include "style_compute.h"
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#include "style_fix.h"
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#include "atom.h"
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "molecule.h"
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#include <mpi.h>
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#include <cctype>
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#include <cmath>
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#include <cstring>
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#include "molecule.h"
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#include "atom.h"
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#include "atom_vec.h"
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#include "atom_vec_body.h"
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include <cmath>
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#include "nbin.h"
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#include <cmath>
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#include "neighbor.h"
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#include "neigh_request.h"
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#include "domain.h"
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Contributing author (triclinic and multi-neigh) : Pieter in 't Veld (SNL)
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------------------------------------------------------------------------- */
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#include "neighbor.h"
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#include <mpi.h>
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#include <cmath>
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#include <cstring>
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#include "neighbor.h"
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#include "neigh_list.h"
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#include "neigh_request.h"
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#include "nbin.h"
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include <cmath>
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#include "npair.h"
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#include <cmath>
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#include "neighbor.h"
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#include "neigh_request.h"
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#include "nbin.h"
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include <mpi.h>
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#include "ntopo.h"
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#include <mpi.h>
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#include "atom.h"
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#include "neighbor.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 <mpi.h>
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#include "ntopo_angle_all.h"
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#include <mpi.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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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include <mpi.h>
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#include "ntopo_angle_partial.h"
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#include <mpi.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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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include <mpi.h>
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#include "ntopo_angle_template.h"
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#include <mpi.h>
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#include "atom.h"
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#include "atom_vec.h"
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#include "force.h"
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include <mpi.h>
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#include "ntopo_bond_all.h"
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#include <mpi.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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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include <mpi.h>
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#include "ntopo_bond_partial.h"
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#include <mpi.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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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include <mpi.h>
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#include "ntopo_bond_template.h"
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#include <mpi.h>
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#include "atom.h"
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#include "atom_vec.h"
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#include "force.h"
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include <mpi.h>
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#include "ntopo_dihedral_all.h"
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#include <mpi.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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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include <mpi.h>
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#include "ntopo_dihedral_partial.h"
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#include <mpi.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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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include <mpi.h>
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#include "ntopo_dihedral_template.h"
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#include <mpi.h>
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#include "atom.h"
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#include "atom_vec.h"
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#include "force.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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------------------------------------------------------------------------- */
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#include <mpi.h>
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#include "ntopo_improper_all.h"
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#include <mpi.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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@ -11,8 +11,8 @@
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include <mpi.h>
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#include "ntopo_improper_partial.h"
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#include <mpi.h>
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#include "atom.h"
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#include "force.h"
|
||||
#include "domain.h"
|
||||
|
|
|
@ -11,8 +11,8 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include <mpi.h>
|
||||
#include "ntopo_improper_template.h"
|
||||
#include <mpi.h>
|
||||
#include "atom.h"
|
||||
#include "atom_vec.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -11,9 +11,9 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "output.h"
|
||||
#include <mpi.h>
|
||||
#include <cstring>
|
||||
#include "output.h"
|
||||
#include "style_dump.h"
|
||||
#include "atom.h"
|
||||
#include "neighbor.h"
|
||||
|
|
|
@ -15,12 +15,12 @@
|
|||
Contributing author: Paul Crozier (SNL)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair.h"
|
||||
#include <mpi.h>
|
||||
#include <cfloat> // IWYU pragma: keep
|
||||
#include <climits> // IWYU pragma: keep
|
||||
#include <cmath>
|
||||
#include <cstring>
|
||||
#include "pair.h"
|
||||
#include "atom.h"
|
||||
#include "neighbor.h"
|
||||
#include "domain.h"
|
||||
|
|
|
@ -15,9 +15,9 @@
|
|||
Contributing author: Jonathan Zimmerman (Sandia)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_beck.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include "pair_beck.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -15,10 +15,10 @@
|
|||
Contributing Author: Sai Jayaraman (Sandia)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_born.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include <cstring>
|
||||
#include "pair_born.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -16,9 +16,9 @@
|
|||
References: Fennell and Gezelter, JCP 124, 234104 (2006)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_born_coul_dsf.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include "pair_born_coul_dsf.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -15,9 +15,9 @@
|
|||
Contributing author: Yongfeng Zhang (INL), yongfeng.zhang@inl.gov
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_born_coul_wolf.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include "pair_born_coul_wolf.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -11,10 +11,10 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_buck.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include <cstring>
|
||||
#include "pair_buck.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -15,9 +15,9 @@
|
|||
Contributing author: Eduardo Bringa (LLNL)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_buck_coul_cut.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include "pair_buck_coul_cut.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -11,10 +11,10 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_coul_cut.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include <cstring>
|
||||
#include "pair_coul_cut.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -11,9 +11,9 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_coul_debye.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include "pair_coul_debye.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -16,10 +16,10 @@
|
|||
References: Fennell and Gezelter, JCP 124, 234104 (2006)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_coul_dsf.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include <cstring>
|
||||
#include "pair_coul_dsf.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -15,11 +15,11 @@
|
|||
Contributing author: Ray Shan (Sandia)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_coul_streitz.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include <cstdlib>
|
||||
#include <cstring>
|
||||
#include "pair_coul_streitz.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -15,9 +15,9 @@
|
|||
Contributing author: Yongfeng Zhang (INL), yongfeng.zhang@inl.gov
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_coul_wolf.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include "pair_coul_wolf.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -15,8 +15,8 @@
|
|||
Contributing author: Axel Kohlmeyer (Temple U)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include <cstring>
|
||||
#include "pair_deprecated.h"
|
||||
#include <cstring>
|
||||
#include "pair_hybrid.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -15,9 +15,9 @@
|
|||
Contributing author: Kurt Smith (U Pittsburgh)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_dpd.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include "pair_dpd.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "update.h"
|
||||
|
|
|
@ -11,9 +11,9 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_dpd_tstat.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include "pair_dpd_tstat.h"
|
||||
#include "atom.h"
|
||||
#include "update.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -15,10 +15,10 @@
|
|||
Contributing author: Sai Jayaraman (Sandia)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_gauss.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include <cstring>
|
||||
#include "pair_gauss.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -12,10 +12,10 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_hybrid.h"
|
||||
#include <mpi.h>
|
||||
#include <cstring>
|
||||
#include <cctype>
|
||||
#include "pair_hybrid.h"
|
||||
#include "atom.h"
|
||||
#include "force.h"
|
||||
#include "pair.h"
|
||||
|
|
|
@ -11,9 +11,9 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_hybrid_overlay.h"
|
||||
#include <cstring>
|
||||
#include <cctype>
|
||||
#include "pair_hybrid_overlay.h"
|
||||
#include "atom.h"
|
||||
#include "force.h"
|
||||
#include "error.h"
|
||||
|
|
|
@ -15,10 +15,10 @@
|
|||
Contributing author: Chuanfu Luo (luochuanfu@gmail.com)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_lj96_cut.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include <cstring>
|
||||
#include "pair_lj96_cut.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -16,9 +16,9 @@
|
|||
Contributing author: Aidan Thompson (SNL)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_lj_cubic.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include "pair_lj_cubic.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -15,10 +15,10 @@
|
|||
Contributing author: Paul Crozier (SNL)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_lj_cut.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include <cstring>
|
||||
#include "pair_lj_cut.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -11,10 +11,10 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_lj_cut_coul_cut.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include <cstring>
|
||||
#include "pair_lj_cut_coul_cut.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -11,9 +11,9 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_lj_cut_coul_debye.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include "pair_lj_cut_coul_debye.h"
|
||||
#include "atom.h"
|
||||
#include "neigh_list.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -15,11 +15,11 @@
|
|||
Contributing author: Vishal Boddu (FAU)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_lj_cut_coul_wolf.h"
|
||||
#include <cmath>
|
||||
#include <cstdio>
|
||||
#include <cstdlib>
|
||||
#include <cstring>
|
||||
#include "pair_lj_cut_coul_wolf.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -11,11 +11,11 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_lj_expand.h"
|
||||
#include <cmath>
|
||||
#include <cstdio>
|
||||
#include <cstdlib>
|
||||
#include <cstring>
|
||||
#include "pair_lj_expand.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -15,11 +15,11 @@
|
|||
Contributing author: Mark Stevens (SNL)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_lj_gromacs.h"
|
||||
#include <cmath>
|
||||
#include <cstdio>
|
||||
#include <cstdlib>
|
||||
#include <cstring>
|
||||
#include "pair_lj_gromacs.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -15,11 +15,11 @@
|
|||
Contributing author: Mark Stevens (SNL)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_lj_gromacs_coul_gromacs.h"
|
||||
#include <cmath>
|
||||
#include <cstdio>
|
||||
#include <cstdlib>
|
||||
#include <cstring>
|
||||
#include "pair_lj_gromacs_coul_gromacs.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -15,10 +15,10 @@
|
|||
Contributing author: Craig Maloney (UCSB)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_lj_smooth.h"
|
||||
#include <cmath>
|
||||
#include <cstdio>
|
||||
#include <cstdlib>
|
||||
#include "pair_lj_smooth.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -15,10 +15,10 @@
|
|||
Contributing author: Jonathan Zimmerman (Sandia)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_lj_smooth_linear.h"
|
||||
#include <cmath>
|
||||
#include <cstdio>
|
||||
#include <cstdlib>
|
||||
#include "pair_lj_smooth_linear.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -15,11 +15,11 @@
|
|||
Contributing author: Cassiano Aimoli (aimoli@gmail.com)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_mie_cut.h"
|
||||
#include <cmath>
|
||||
#include <cstdio>
|
||||
#include <cstdlib>
|
||||
#include <cstring>
|
||||
#include "pair_mie_cut.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -11,11 +11,11 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_morse.h"
|
||||
#include <cmath>
|
||||
#include <cstdio>
|
||||
#include <cstdlib>
|
||||
#include <cstring>
|
||||
#include "pair_morse.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -11,11 +11,11 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_soft.h"
|
||||
#include <cmath>
|
||||
#include <cstdio>
|
||||
#include <cstdlib>
|
||||
#include <cstring>
|
||||
#include "pair_soft.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -15,11 +15,11 @@
|
|||
Contributing author: Paul Crozier (SNL)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_table.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include <cstdlib>
|
||||
#include <cstring>
|
||||
#include "pair_table.h"
|
||||
#include "atom.h"
|
||||
#include "force.h"
|
||||
#include "comm.h"
|
||||
|
|
|
@ -17,11 +17,11 @@
|
|||
Maurice de Koning (Unicamp/Brazil) - dekoning@ifi.unicamp.br
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_ufm.h"
|
||||
#include <cmath>
|
||||
#include <cstdio>
|
||||
#include <cstdlib>
|
||||
#include <cstring>
|
||||
#include "pair_ufm.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -11,9 +11,9 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_yukawa.h"
|
||||
#include <cmath>
|
||||
#include <cstdlib>
|
||||
#include "pair_yukawa.h"
|
||||
#include "atom.h"
|
||||
#include "force.h"
|
||||
#include "comm.h"
|
||||
|
|
|
@ -15,11 +15,11 @@
|
|||
Contributing authors: Stephen Foiles, Aidan Thompson (SNL)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_zbl.h"
|
||||
#include <cmath>
|
||||
#include <cstdio>
|
||||
#include <cstdlib>
|
||||
#include <cstring>
|
||||
#include "pair_zbl.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -15,11 +15,11 @@
|
|||
Contributing author: Carsten Svaneborg (SDU)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_zero.h"
|
||||
#include <cmath>
|
||||
#include <cstdio>
|
||||
#include <cstdlib>
|
||||
#include <cstring>
|
||||
#include "pair_zero.h"
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -15,8 +15,8 @@
|
|||
Contributing author (NUMA option) : Mike Brown (ORNL)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include <cstring>
|
||||
#include "procmap.h"
|
||||
#include <cstring>
|
||||
#include "universe.h"
|
||||
#include "comm.h"
|
||||
#include "domain.h"
|
||||
|
|
|
@ -14,8 +14,8 @@
|
|||
// Marsaglia random number generator
|
||||
// see RANMAR in F James, Comp Phys Comm, 60, 329 (1990)
|
||||
|
||||
#include <cmath>
|
||||
#include "random_mars.h"
|
||||
#include <cmath>
|
||||
#include "error.h"
|
||||
|
||||
using namespace LAMMPS_NS;
|
||||
|
|
|
@ -13,8 +13,8 @@
|
|||
|
||||
// Park/Miller RNG
|
||||
|
||||
#include <cmath>
|
||||
#include "random_park.h"
|
||||
#include <cmath>
|
||||
#include "error.h"
|
||||
|
||||
using namespace LAMMPS_NS;
|
||||
|
|
|
@ -11,9 +11,9 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "rcb.h"
|
||||
#include <mpi.h>
|
||||
#include <cstring>
|
||||
#include "rcb.h"
|
||||
#include "irregular.h"
|
||||
#include "memory.h"
|
||||
#include "error.h"
|
||||
|
|
|
@ -15,13 +15,13 @@
|
|||
// due to OpenMPI bug which sets INT64_MAX via its mpi.h
|
||||
// before lmptype.h can set flags to insure it is done correctly
|
||||
|
||||
#include "read_data.h"
|
||||
#include "lmptype.h"
|
||||
#include <mpi.h>
|
||||
#include <cmath>
|
||||
#include <cstring>
|
||||
#include <cstdlib>
|
||||
#include <cctype>
|
||||
#include "read_data.h"
|
||||
#include "atom.h"
|
||||
#include "atom_vec.h"
|
||||
#include "atom_vec_ellipsoid.h"
|
||||
|
|
|
@ -19,11 +19,11 @@
|
|||
// due to OpenMPI bug which sets INT64_MAX via its mpi.h
|
||||
// before lmptype.h can set flags to insure it is done correctly
|
||||
|
||||
#include "read_dump.h"
|
||||
#include "lmptype.h"
|
||||
#include <mpi.h>
|
||||
#include <cstring>
|
||||
#include <cstdlib>
|
||||
#include "read_dump.h"
|
||||
#include "reader.h"
|
||||
#include "style_reader.h"
|
||||
#include "atom.h"
|
||||
|
|
|
@ -11,11 +11,11 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "read_restart.h"
|
||||
#include <mpi.h>
|
||||
#include <cstring>
|
||||
#include <cstdlib>
|
||||
#include <dirent.h>
|
||||
#include "read_restart.h"
|
||||
#include "atom.h"
|
||||
#include "atom_vec.h"
|
||||
#include "domain.h"
|
||||
|
|
|
@ -11,9 +11,9 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "reader.h"
|
||||
#include <cstdio>
|
||||
#include <cstring>
|
||||
#include "reader.h"
|
||||
#include "error.h"
|
||||
|
||||
using namespace LAMMPS_NS;
|
||||
|
|
|
@ -11,9 +11,9 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "reader_native.h"
|
||||
#include <cstring>
|
||||
#include <cstdlib>
|
||||
#include "reader_native.h"
|
||||
#include "atom.h"
|
||||
#include "memory.h"
|
||||
#include "error.h"
|
||||
|
|
|
@ -15,9 +15,9 @@
|
|||
Contributing author: Axel Kohlmeyer (Temple U)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "reader_xyz.h"
|
||||
#include <cstring>
|
||||
#include <cstdlib>
|
||||
#include "reader_xyz.h"
|
||||
#include "atom.h"
|
||||
#include "memory.h"
|
||||
#include "error.h"
|
||||
|
|
|
@ -11,10 +11,10 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "region.h"
|
||||
#include <cmath>
|
||||
#include <cstdlib>
|
||||
#include <cstring>
|
||||
#include "region.h"
|
||||
#include "update.h"
|
||||
#include "domain.h"
|
||||
#include "lattice.h"
|
||||
|
|
|
@ -11,9 +11,9 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "region_block.h"
|
||||
#include <cstdlib>
|
||||
#include <cstring>
|
||||
#include "region_block.h"
|
||||
#include "force.h"
|
||||
#include "domain.h"
|
||||
#include "math_extra.h"
|
||||
|
|
|
@ -15,10 +15,10 @@
|
|||
Contributing author: Pim Schravendijk
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "region_cone.h"
|
||||
#include <cmath>
|
||||
#include <cstdlib>
|
||||
#include <cstring>
|
||||
#include "region_cone.h"
|
||||
#include "domain.h"
|
||||
#include "error.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -11,10 +11,10 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "region_cylinder.h"
|
||||
#include <cmath>
|
||||
#include <cstdlib>
|
||||
#include <cstring>
|
||||
#include "region_cylinder.h"
|
||||
#include "update.h"
|
||||
#include "domain.h"
|
||||
#include "input.h"
|
||||
|
|
|
@ -11,8 +11,8 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include <cstring>
|
||||
#include "region_deprecated.h"
|
||||
#include <cstring>
|
||||
#include "comm.h"
|
||||
#include "error.h"
|
||||
|
||||
|
|
|
@ -11,9 +11,9 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "region_intersect.h"
|
||||
#include <cstdlib>
|
||||
#include <cstring>
|
||||
#include "region_intersect.h"
|
||||
#include "domain.h"
|
||||
#include "error.h"
|
||||
#include "force.h"
|
||||
|
|
|
@ -11,10 +11,10 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "region_plane.h"
|
||||
#include <cmath>
|
||||
#include <cstdlib>
|
||||
#include <cstring>
|
||||
#include "region_plane.h"
|
||||
#include "error.h"
|
||||
#include "force.h"
|
||||
|
||||
|
|
|
@ -15,10 +15,10 @@
|
|||
Contributing author: Pieter in 't Veld (SNL)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "region_prism.h"
|
||||
#include <cmath>
|
||||
#include <cstdlib>
|
||||
#include <cstring>
|
||||
#include "region_prism.h"
|
||||
#include "domain.h"
|
||||
#include "force.h"
|
||||
#include "math_extra.h"
|
||||
|
|
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Reference in New Issue