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Merge pull request #1174 from akohlmey/fix-kspace-refactor 

Bug fix for Kspace refactoring in USER-INTEL package
This commit is contained in:
Axel Kohlmeyer 2018-10-23 13:33:36 -04:00 committed by GitHub
parent fccc26758b b6b6270716
commit 45f28517ef
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GPG Key ID: 4AEE18F83AFDEB23
4 changed files with 4 additions and 8 deletions
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6
src/USER-INTEL/pppm_disp_intel.cpp
View File

@ -59,8 +59,7 @@ enum{FORWARD_IK, FORWARD_AD, FORWARD_IK_PERATOM, FORWARD_AD_PERATOM,
/* ---------------------------------------------------------------------- */
PPPMDispIntel::PPPMDispIntel(LAMMPS *lmp, int narg, char **arg) :
PPPMDisp(lmp, narg, arg)
PPPMDispIntel::PPPMDispIntel(LAMMPS *lmp) : PPPMDisp(lmp)
{
suffix_flag |= Suffix::INTEL;
@ -97,13 +96,10 @@ PPPMDispIntel::~PPPMDispIntel()
memory->destroy(drho6_lookup);
}
/* ----------------------------------------------------------------------
called once before run
------------------------------------------------------------------------- */
void PPPMDispIntel::init()
{

2
src/USER-INTEL/pppm_disp_intel.h
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@ -31,7 +31,7 @@ namespace LAMMPS_NS {
class PPPMDispIntel : public PPPMDisp {
public:
PPPMDispIntel(class LAMMPS *, int, char **);
PPPMDispIntel(class LAMMPS *);
virtual ~PPPMDispIntel();
virtual void init();
virtual void compute(int, int);

2
src/USER-INTEL/pppm_intel.cpp
View File

@ -57,7 +57,7 @@ enum{FORWARD_IK,FORWARD_AD,FORWARD_IK_PERATOM,FORWARD_AD_PERATOM};
/* ---------------------------------------------------------------------- */
PPPMIntel::PPPMIntel(LAMMPS *lmp, int narg, char **arg) : PPPM(lmp, narg, arg)
PPPMIntel::PPPMIntel(LAMMPS *lmp) : PPPM(lmp)
{
suffix_flag |= Suffix::INTEL;

2
src/USER-INTEL/pppm_intel.h
View File

@ -34,7 +34,7 @@ namespace LAMMPS_NS {
class PPPMIntel : public PPPM {
public:
PPPMIntel(class LAMMPS *, int, char **);
PPPMIntel(class LAMMPS *);
virtual ~PPPMIntel();
virtual void init();
virtual void compute(int, int);