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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8860 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2012-10-02 19:53:10 +00:00
parent 334c90fc21
commit ccda8dd203
4 changed files with 4 additions and 12 deletions
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4
src/USER-OMP/pair_lj_charmm_coul_pppm_omp.cpp
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@ -41,6 +41,7 @@ using namespace LAMMPS_NS;
PairLJCharmmCoulPPPMOMP::PairLJCharmmCoulPPPMOMP(LAMMPS *lmp) :
PairLJCharmmCoulLong(lmp), ThrOMP(lmp, THR_PAIR|THR_PROXY)
{
proxyflag = 1;
suffix_flag |= Suffix::OMP;
respa_enable = 0;
nproxy=1;
@ -55,9 +56,6 @@ void PairLJCharmmCoulPPPMOMP::init_style()
if (comm->nthreads < 2)
error->all(FLERR,"need at least two threads per MPI task for this pair style");
if (strcmp(force->kspace_style,"pppm/proxy") != 0)
error->all(FLERR,"kspace style pppm/proxy is required with this pair style");
kspace = static_cast<PPPMProxy *>(force->kspace);
PairLJCharmmCoulLong::init_style();

4
src/USER-OMP/pair_lj_class2_coul_pppm_omp.cpp
View File

@ -41,6 +41,7 @@ using namespace LAMMPS_NS;
PairLJClass2CoulPPPMOMP::PairLJClass2CoulPPPMOMP(LAMMPS *lmp) :
PairLJClass2CoulLong(lmp), ThrOMP(lmp, THR_PAIR|THR_PROXY)
{
proxyflag = 1;
suffix_flag |= Suffix::OMP;
respa_enable = 0;
nproxy=1;
@ -55,9 +56,6 @@ void PairLJClass2CoulPPPMOMP::init_style()
if (comm->nthreads < 2)
error->all(FLERR,"need at least two threads per MPI task for this pair style");
if (strcmp(force->kspace_style,"pppm/proxy") != 0)
error->all(FLERR,"kspace style pppm/proxy is required with this pair style");
kspace = static_cast<PPPMProxy *>(force->kspace);
PairLJClass2CoulLong::init_style();

4
src/USER-OMP/pair_lj_cut_coul_pppm_omp.cpp
View File

@ -41,6 +41,7 @@ using namespace LAMMPS_NS;
PairLJCutCoulPPPMOMP::PairLJCutCoulPPPMOMP(LAMMPS *lmp) :
PairLJCutCoulLong(lmp), ThrOMP(lmp, THR_PAIR|THR_PROXY)
{
proxyflag = 1;
suffix_flag |= Suffix::OMP;
respa_enable = 0;
nproxy=1;
@ -55,9 +56,6 @@ void PairLJCutCoulPPPMOMP::init_style()
if (comm->nthreads < 2)
error->all(FLERR,"need at least two threads per MPI task for this pair style");
if (strcmp(force->kspace_style,"pppm/proxy") != 0)
error->all(FLERR,"kspace style pppm/proxy is required with this pair style");
kspace = static_cast<PPPMProxy *>(force->kspace);
PairLJCutCoulLong::init_style();

4
src/USER-OMP/pair_lj_cut_coul_pppm_tip4p_omp.cpp
View File

@ -43,6 +43,7 @@ using namespace LAMMPS_NS;
PairLJCutCoulPPPMTIP4POMP::PairLJCutCoulPPPMTIP4POMP(LAMMPS *lmp) :
PairLJCutCoulLongTIP4P(lmp), ThrOMP(lmp, THR_PAIR|THR_PROXY)
{
proxyflag = 1;
suffix_flag |= Suffix::OMP;
respa_enable = 0;
nproxy=1;
@ -62,9 +63,6 @@ void PairLJCutCoulPPPMTIP4POMP::init_style()
if (comm->nthreads < 2)
error->all(FLERR,"need at least two threads per MPI task for this pair style");
if (strcmp(force->kspace_style,"pppm/tip4p/proxy") != 0)
error->all(FLERR,"kspace style pppm/tip4p/proxy is required with this pair style");
kspace = static_cast<PPPMTIP4PProxy *>(force->kspace);
PairLJCutCoulLongTIP4P::init_style();