move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it

This commit is contained in:
Axel Kohlmeyer
2018-05-09 18:11:31 -04:00
parent dde271db36
commit d8138a5b4c
19 changed files with 66 additions and 73 deletions

View File

@ -76,7 +76,7 @@ void NTopoAngleTemplate::build()
atom3 = atom->map(angle_atom3[iatom][m]+tagprev);
if (atom1 == -1 || atom2 == -1 || atom3 == -1) {
nmissing++;
if (lostbond == ERROR) {
if (lostbond == Thermo::ERROR) {
char str[128];
sprintf(str,"Angle atoms "
TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT
@ -106,7 +106,7 @@ void NTopoAngleTemplate::build()
}
if (cluster_check) angle_check();
if (lostbond == IGNORE) return;
if (lostbond == Thermo::IGNORE) return;
int all;
MPI_Allreduce(&nmissing,&all,1,MPI_INT,MPI_SUM,world);