From 6f4d6570619fc4e0d229204a2fa7d01909d52521 Mon Sep 17 00:00:00 2001 From: Plimpton Date: Tue, 12 Jan 2021 12:28:06 -0700 Subject: [PATCH] enable pair table/rx for new custom vector syntax --- src/USER-DPD/pair_table_rx.cpp | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/src/USER-DPD/pair_table_rx.cpp b/src/USER-DPD/pair_table_rx.cpp index cefbe5a73d..4d412d7481 100644 --- a/src/USER-DPD/pair_table_rx.cpp +++ b/src/USER-DPD/pair_table_rx.cpp @@ -329,7 +329,7 @@ void PairTableRX::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"); @@ -339,7 +339,7 @@ void PairTableRX::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"); @@ -406,7 +406,7 @@ void PairTableRX::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; } @@ -421,7 +421,7 @@ void PairTableRX::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; }