more include updates for USER-OMP (05c7cfe5) · Commits · 郑智淋 / lammps

src/USER-OMP/ewald_omp.cpp

+6 −6

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		@@ -15,18 +15,18 @@
		Contributing authors: Roy Pollock (LLNL), Paul Crozier (SNL)
		------------------------------------------------------------------------- */

		#include "omp_compat.h"
		#include "ewald_omp.h"
		#include <mpi.h>
		#include <cmath>

		#include "atom.h"
		#include "comm.h"
		#include "force.h"
		#include "memory.h"
		#include "timer.h"
		#include "math_const.h"

		#include "memory.h"
		#include "suffix.h"

		#include <cmath>

		#include "omp_compat.h"
		using namespace LAMMPS_NS;
		using namespace MathConst;

+7 −5

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		@@ -15,18 +15,20 @@
		Contributing author: Axel Kohlmeyer (Temple U)
		------------------------------------------------------------------------- */

		#include "omp_compat.h"
		#include <cmath>
		#include "improper_fourier_omp.h"

		#include "atom.h"
		#include "comm.h"
		#include "error.h"
		#include "force.h"
		#include "neighbor.h"
		#include "suffix.h"
		#include "timer.h"
		#include "force.h"
		#include "update.h"
		#include "error.h"

		#include "suffix.h"
		#include <cmath>

		#include "omp_compat.h"
		using namespace LAMMPS_NS;

		#define TOLERANCE 0.05

+6 −5

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		@@ -15,17 +15,18 @@
		Contributing author: Axel Kohlmeyer (Temple U)
		------------------------------------------------------------------------- */

		#include "omp_compat.h"
		#include "improper_ring_omp.h"
		#include <cmath>

		#include "atom.h"
		#include "comm.h"
		#include "neighbor.h"
		#include "timer.h"
		#include "force.h"
		#include "math_special.h"

		#include "neighbor.h"
		#include "suffix.h"

		#include <cmath>

		#include "omp_compat.h"
		using namespace LAMMPS_NS;
		using namespace MathSpecial;

+7 −10

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		@@ -16,24 +16,21 @@
		Original MSM class by: Paul Crozier, Stan Moore, Stephen Bond, (all SNL)
		------------------------------------------------------------------------- */

		#include "omp_compat.h"
		#include "msm_cg_omp.h"
		#include <mpi.h>
		#include <cmath>
		#include <cstdio>
		#include <cstring>

		#include "atom.h"
		#include "gridcomm.h"
		#include "domain.h"
		#include "error.h"
		#include "force.h"
		#include "neighbor.h"
		#include "gridcomm.h"
		#include "memory.h"
		#include "neighbor.h"
		#include "thr_omp.h"
		#include "timer.h"
		#include "utils.h"
		#include "fmt/format.h"

		#include <cmath>
		#include <cstring>

		#include "omp_compat.h"

		using namespace LAMMPS_NS;

+4 −3

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		@@ -15,14 +15,15 @@
		Contributing authors: Axel Kohlmeyer (Temple U), Stan Moore (SNL)
		------------------------------------------------------------------------- */

		#include "omp_compat.h"
		#include "msm_omp.h"
		#include <cstring>

		#include "comm.h"
		#include "domain.h"
		#include "error.h"
		#include "timer.h"

		#include <cstring>

		#include "omp_compat.h"
		#if defined(_OPENMP)
		#include <omp.h>
		#endif