ICODE-ADC/lammps
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improvements from clang-tidy

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This commit is contained in:
Axel Kohlmeyer
2023-12-19 23:37:07 -05:00
parent 3237c30117
commit dedbd8f6db
16 changed files with 33 additions and 46 deletions
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18
examples/COUPLE/simple/simple.cpp
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@ -67,7 +67,7 @@ int main(int narg, char **arg)
FILE *fp;
if (me == 0) {
fp = fopen(arg[2],"r");
if (fp == NULL) {
if (fp == nullptr) {
printf("ERROR: Could not open LAMMPS input script\n");
MPI_Abort(MPI_COMM_WORLD,1);
}
@ -78,14 +78,14 @@ int main(int narg, char **arg)
// (could just send it to proc 0 of comm_lammps and let it Bcast)
// all LAMMPS procs call input->one() on the line
LAMMPS *lmp = NULL;
if (lammps == 1) lmp = new LAMMPS(0,NULL,comm_lammps);
LAMMPS *lmp = nullptr;
if (lammps == 1) lmp = new LAMMPS(0,nullptr,comm_lammps);
int n;
char line[1024];
while (1) {
while (true) {
if (me == 0) {
if (fgets(line,1024,fp) == NULL) n = 0;
if (fgets(line,1024,fp) == nullptr) n = 0;
else n = strlen(line) + 1;
if (n == 0) fclose(fp);
}
@ -101,8 +101,8 @@ int main(int narg, char **arg)
// put coords back into LAMMPS
// run a single step with changed coords
double *x = NULL;
double *v = NULL;
double *x = nullptr;
double *v = nullptr;
if (lammps == 1) {
lmp->input->one("run 10");
@ -147,7 +147,7 @@ int main(int narg, char **arg)
// create_atoms() to create new ones with old coords, vels
// initial thermo should be same as step 20
int *type = NULL;
int *type = nullptr;
if (lammps == 1) {
int natoms = static_cast<int> (lmp->atom->natoms);
@ -155,7 +155,7 @@ int main(int narg, char **arg)
for (int i = 0; i < natoms; i++) type[i] = 1;
lmp->input->one("delete_atoms group all");
lammps_create_atoms(lmp,natoms,NULL,type,x,v,NULL,0);
lammps_create_atoms(lmp,natoms,nullptr,type,x,v,nullptr,0);
lmp->input->one("run 10");
}