ICODE-ADC/lammps
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Merge branch 'master' into symbolic-atom-constants

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This commit is contained in:
Axel Kohlmeyer
2020-09-15 17:44:31 -04:00
parent 618b08dcfc cebf6d33ba
commit 0f6a34775c
1186 changed files with 8448 additions and 8360 deletions
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18
src/USER-OMP/fix_omp.cpp
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@ -61,7 +61,7 @@ static int get_tid()
FixOMP::FixOMP(LAMMPS *lmp, int narg, char **arg)
: Fix(lmp, narg, arg),
thr(NULL), last_omp_style(NULL), last_pair_hybrid(NULL),
thr(nullptr), last_omp_style(nullptr), last_pair_hybrid(nullptr),
_nthr(-1), _neighbor(true), _mixed(false), _reduced(true),
_pair_compute_flag(false), _kspace_compute_flag(false)
{
@ -203,8 +203,8 @@ void FixOMP::init()
thr[i]->_timer_active=-1;
}
if ((strstr(update->integrate_style,"respa") != NULL)
&& (strstr(update->integrate_style,"respa/omp") == NULL))
if ((strstr(update->integrate_style,"respa") != nullptr)
&& (strstr(update->integrate_style,"respa/omp") == nullptr))
error->all(FLERR,"Need to use respa/omp for r-RESPA with /omp styles");
if (force->pair && force->pair->compute_flag) _pair_compute_flag = true;
@ -213,18 +213,18 @@ void FixOMP::init()
else _kspace_compute_flag = false;
int check_hybrid, kspace_split;
last_pair_hybrid = NULL;
last_omp_style = NULL;
const char *last_omp_name = NULL;
const char *last_hybrid_name = NULL;
const char *last_force_name = NULL;
last_pair_hybrid = nullptr;
last_omp_style = nullptr;
const char *last_omp_name = nullptr;
const char *last_hybrid_name = nullptr;
const char *last_force_name = nullptr;
// support for verlet/split operation.
// kspace_split == 0 : regular processing
// kspace_split < 0 : master partition, does not do kspace
// kspace_split > 0 : slave partition, only does kspace
if (strstr(update->integrate_style,"verlet/split") != NULL) {
if (strstr(update->integrate_style,"verlet/split") != nullptr) {
if (universe->iworld == 0) kspace_split = -1;
else kspace_split = 1;
} else {