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Propagate variable rename

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This commit is contained in:
Stan Gerald Moore
2021-07-22 08:10:42 -06:00
parent 6d3a5a6eb9
commit d5ba7b2578
2 changed files with 7 additions and 7 deletions
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6
src/KOKKOS/pair_exp6_rx_kokkos.cpp
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@ -1787,7 +1787,7 @@ void PairExp6rxKokkos<DeviceType>::read_file(char *file)
while ((words[nwords++] = strtok(nullptr," \t\n\r\f"))) continue;
for (ispecies = 0; ispecies < nspecies; ispecies++)
if (strcmp(words[0],&atom->dname[ispecies][0]) == 0) break;
if (strcmp(words[0],&atom->dvname[ispecies][0]) == 0) break;
if (ispecies == nspecies) continue;
// load up parameter settings and error check their values
@ -1801,9 +1801,9 @@ void PairExp6rxKokkos<DeviceType>::read_file(char *file)
params[nparams].ispecies = ispecies;
n = strlen(&atom->dname[ispecies][0]) + 1;
n = strlen(&atom->dvname[ispecies][0]) + 1;
params[nparams].name = new char[n];
strcpy(params[nparams].name,&atom->dname[ispecies][0]);
strcpy(params[nparams].name,&atom->dvname[ispecies][0]);
n = strlen(words[1]) + 1;
params[nparams].potential = new char[n];

8
src/KOKKOS/pair_table_rx_kokkos.cpp
View File

@ -1047,7 +1047,7 @@ void PairTableRXKokkos<DeviceType>::coeff(int narg, char **arg)
int ispecies;
for (ispecies = 0; ispecies < nspecies; ispecies++) {
if (strcmp(site1,&atom->dname[ispecies][0]) == 0) break;
if (strcmp(site1,&atom->dvname[ispecies][0]) == 0) break;
}
if (ispecies == nspecies && strcmp(site1,"1fluid") != 0)
error->all(FLERR,"Site1 name not recognized in pair coefficients");
@ -1057,7 +1057,7 @@ void PairTableRXKokkos<DeviceType>::coeff(int narg, char **arg)
strcpy(site2,arg[5]);
for (ispecies = 0; ispecies < nspecies; ispecies++) {
if (strcmp(site2,&atom->dname[ispecies][0]) == 0) break;
if (strcmp(site2,&atom->dvname[ispecies][0]) == 0) break;
}
if (ispecies == nspecies && strcmp(site2,"1fluid") != 0)
error->all(FLERR,"Site2 name not recognized in pair coefficients");
@ -1124,7 +1124,7 @@ void PairTableRXKokkos<DeviceType>::coeff(int narg, char **arg)
isite1 = nspecies;
for (int k = 0; k < nspecies; k++) {
if (strcmp(site1, atom->dname[k]) == 0) {
if (strcmp(site1, atom->dvname[k]) == 0) {
isite1 = k;
break;
}
@ -1139,7 +1139,7 @@ void PairTableRXKokkos<DeviceType>::coeff(int narg, char **arg)
isite2 = nspecies;
for (int k = 0; k < nspecies; k++) {
if (strcmp(site2, atom->dname[k]) == 0) {
if (strcmp(site2, atom->dvname[k]) == 0) {
isite2 = ispecies;
break;
}