From b3079f3aec02e74ce14616b6fdf91454e2bd35f2 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 6 Sep 2018 12:05:32 -0400
Subject: [PATCH] rename files and classes for pair style eam/cd/omp to follow
the rename of the non-threaded classes
---
src/Purge.list | 3 +++
...pair_cdeam_omp.cpp => pair_eam_cd_omp.cpp} | 14 ++++++------
.../{pair_cdeam_omp.h => pair_eam_cd_omp.h} | 22 +++++++++----------
3 files changed, 21 insertions(+), 18 deletions(-)
rename src/USER-OMP/{pair_cdeam_omp.cpp => pair_eam_cd_omp.cpp} (97%)
rename src/USER-OMP/{pair_cdeam_omp.h => pair_eam_cd_omp.h} (71%)
diff --git a/src/Purge.list b/src/Purge.list
index cb98636b1c..c70392c935 100644
--- a/src/Purge.list
+++ b/src/Purge.list
@@ -24,6 +24,9 @@ style_nstencil.h
style_ntopo.h
# other auto-generated files
lmpinstalledpkgs.h
+# renamed on 6 September 2018
+pair_cdeam_omp.h
+pair_cdeam_omp.cpp
# renamed on 31 July 2018
pair_cdeam.h
pair_cdeam.cpp
diff --git a/src/USER-OMP/pair_cdeam_omp.cpp b/src/USER-OMP/pair_eam_cd_omp.cpp
similarity index 97%
rename from src/USER-OMP/pair_cdeam_omp.cpp
rename to src/USER-OMP/pair_eam_cd_omp.cpp
index c3a9454567..68c01c83d2 100644
--- a/src/USER-OMP/pair_cdeam_omp.cpp
+++ b/src/USER-OMP/pair_eam_cd_omp.cpp
@@ -15,7 +15,7 @@
#include <cmath>
#include <cstring>
-#include "pair_cdeam_omp.h"
+#include "pair_eam_cd_omp.h"
#include "atom.h"
#include "comm.h"
#include "error.h"
@@ -44,8 +44,8 @@ using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
-PairCDEAMOMP::PairCDEAMOMP(LAMMPS *lmp, int _cdeamVersion) :
- PairEAM(lmp), PairCDEAM(lmp,_cdeamVersion), ThrOMP(lmp, THR_PAIR)
+PairEAMCDOMP::PairEAMCDOMP(LAMMPS *lmp, int _cdeamVersion) :
+ PairEAM(lmp), PairEAMCD(lmp,_cdeamVersion), ThrOMP(lmp, THR_PAIR)
{
suffix_flag |= Suffix::OMP;
respa_enable = 0;
@@ -53,7 +53,7 @@ PairCDEAMOMP::PairCDEAMOMP(LAMMPS *lmp, int _cdeamVersion) :
/* ---------------------------------------------------------------------- */
-void PairCDEAMOMP::compute(int eflag, int vflag)
+void PairEAMCDOMP::compute(int eflag, int vflag)
{
if (eflag || vflag) {
ev_setup(eflag,vflag);
@@ -143,7 +143,7 @@ void PairCDEAMOMP::compute(int eflag, int vflag)
}
template <int EVFLAG, int EFLAG, int NEWTON_PAIR, int CDEAMVERSION>
-void PairCDEAMOMP::eval(int iifrom, int iito, ThrData * const thr)
+void PairEAMCDOMP::eval(int iifrom, int iito, ThrData * const thr)
{
int i,j,ii,jj,jnum,itype,jtype;
double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair;
@@ -534,10 +534,10 @@ void PairCDEAMOMP::eval(int iifrom, int iito, ThrData * const thr)
/* ---------------------------------------------------------------------- */
-double PairCDEAMOMP::memory_usage()
+double PairEAMCDOMP::memory_usage()
{
double bytes = memory_usage_thr();
- bytes += PairCDEAM::memory_usage();
+ bytes += PairEAMCD::memory_usage();
return bytes;
}
diff --git a/src/USER-OMP/pair_cdeam_omp.h b/src/USER-OMP/pair_eam_cd_omp.h
similarity index 71%
rename from src/USER-OMP/pair_cdeam_omp.h
rename to src/USER-OMP/pair_eam_cd_omp.h
index 2839ab0ed0..d46a5383f5 100644
--- a/src/USER-OMP/pair_cdeam_omp.h
+++ b/src/USER-OMP/pair_eam_cd_omp.h
@@ -17,23 +17,23 @@
#ifdef PAIR_CLASS
-PairStyle(eam/cd/omp,PairCDEAM_OneSiteOMP)
-PairStyle(eam/cd/old/omp,PairCDEAM_TwoSiteOMP)
+PairStyle(eam/cd/omp,PairEAMCD_OneSiteOMP)
+PairStyle(eam/cd/old/omp,PairEAMCD_TwoSiteOMP)
#else
-#ifndef LMP_PAIR_CDEAM_OMP_H
-#define LMP_PAIR_CDEAM_OMP_H
+#ifndef LMP_PAIR_EAM_CD_OMP_H
+#define LMP_PAIR_EAM_CD_OMP_H
-#include "pair_cdeam.h"
+#include "pair_eam_cd.h"
#include "thr_omp.h"
namespace LAMMPS_NS {
-class PairCDEAMOMP : public PairCDEAM, public ThrOMP {
+class PairEAMCDOMP : public PairEAMCD, public ThrOMP {
public:
- PairCDEAMOMP(class LAMMPS *, int);
+ PairEAMCDOMP(class LAMMPS *, int);
virtual void compute(int, int);
virtual double memory_usage();
@@ -44,19 +44,19 @@ class PairCDEAMOMP : public PairCDEAM, public ThrOMP {
};
/// The one-site concentration formulation of CD-EAM.
- class PairCDEAM_OneSiteOMP : public PairCDEAMOMP
+ class PairEAMCD_OneSiteOMP : public PairEAMCDOMP
{
public:
/// Constructor.
- PairCDEAM_OneSiteOMP(class LAMMPS* lmp) : PairEAM(lmp), PairCDEAMOMP(lmp, 1) {}
+ PairEAMCD_OneSiteOMP(class LAMMPS* lmp) : PairEAM(lmp), PairEAMCDOMP(lmp, 1) {}
};
/// The two-site concentration formulation of CD-EAM.
- class PairCDEAM_TwoSiteOMP : public PairCDEAMOMP
+ class PairEAMCD_TwoSiteOMP : public PairEAMCDOMP
{
public:
/// Constructor.
- PairCDEAM_TwoSiteOMP(class LAMMPS* lmp) : PairEAM(lmp), PairCDEAMOMP(lmp, 2) {}
+ PairEAMCD_TwoSiteOMP(class LAMMPS* lmp) : PairEAM(lmp), PairEAMCDOMP(lmp, 2) {}
};
}
--
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