clean up include in USER-REAXC (d05787ab) · Commits · 郑智淋 / lammps

src/USER-REAXC/compute_spec_atom.cpp

+1 −7

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		@@ -11,19 +11,13 @@
		See the README file in the top-level LAMMPS directory.
		------------------------------------------------------------------------- */

		#include <cmath>
		#include <cstring>
		#include "compute_spec_atom.h"
		#include "math_extra.h"
		#include <cstring>
		#include "atom.h"
		#include "update.h"
		#include "force.h"
		#include "domain.h"
		#include "memory.h"
		#include "error.h"

		#include "reaxc_defs.h"
		#include "reaxc_types.h"
		#include "pair_reaxc.h"

		using namespace LAMMPS_NS;

+0 −1

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		@@ -21,7 +21,6 @@ ComputeStyle(SPEC/ATOM,ComputeSpecAtom)
		#define LMP_COMPUTE_SPEC_ATOM_H

		#include "compute.h"
		#include "pointers.h"

		namespace LAMMPS_NS {

+3 −4

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		@@ -18,15 +18,13 @@
		Hybrid and sub-group capabilities: Ray Shan (Sandia)
		------------------------------------------------------------------------- */

		#include "fix_qeq_reax.h"
		#include <mpi.h>
		#include <cmath>
		#include <cstdio>
		#include <cstdlib>
		#include <cstring>
		#include "fix_qeq_reax.h"
		#include "pair_reaxc.h"
		#include "atom.h"
		#include "comm.h"
		#include "domain.h"
		#include "neighbor.h"
		#include "neigh_list.h"
		#include "neigh_request.h"
		@@ -39,6 +37,7 @@
		#include "citeme.h"
		#include "error.h"
		#include "reaxc_defs.h"
		#include "reaxc_types.h"

		using namespace LAMMPS_NS;
		using namespace FixConst;

+0 −2

+2 −10

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		@@ -15,22 +15,14 @@
		Contributing author: Ray Shan (Sandia, tnshan@sandia.gov)
		------------------------------------------------------------------------- */

		#include <cstdlib>
		#include <cstring>
		#include "fix_ave_atom.h"
		#include "fix_reaxc_bonds.h"
		#include <mpi.h>
		#include <cstring>
		#include "atom.h"
		#include "update.h"
		#include "pair_reaxc.h"
		#include "modify.h"
		#include "neighbor.h"
		#include "neigh_list.h"
		#include "neigh_request.h"
		#include "comm.h"
		#include "force.h"
		#include "compute.h"
		#include "input.h"
		#include "variable.h"
		#include "memory.h"
		#include "error.h"
		#include "reaxc_list.h"