diff --git a/src/thermo.cpp b/src/thermo.cpp index dbbeff4998..18deecb1a8 100644 --- a/src/thermo.cpp +++ b/src/thermo.cpp @@ -1145,6 +1145,22 @@ int Thermo::evaluate_keyword(char *word, double *answer) compute_atoms(); dvalue = bivalue; + } else if (strcmp(word,"bonds") == 0) { + compute_bonds(); + dvalue = bivalue; + + } else if (strcmp(word,"angles") == 0) { + compute_angles(); + dvalue = bivalue; + + } else if (strcmp(word,"dihedrals") == 0) { + compute_dihedrals(); + dvalue = bivalue; + + } else if (strcmp(word,"impropers") == 0) { + compute_impropers(); + dvalue = bivalue; + } else if (strcmp(word,"temp") == 0) { if (!temperature) error->all(FLERR,"Thermo keyword in variable requires " @@ -1369,11 +1385,6 @@ int Thermo::evaluate_keyword(char *word, double *answer) else if (strcmp(word,"ylat") == 0) compute_ylat(); else if (strcmp(word,"zlat") == 0) compute_zlat(); - else if (strcmp(word,"bonds") == 0) compute_bonds(); - else if (strcmp(word,"angles") == 0) compute_angles(); - else if (strcmp(word,"dihedrals") == 0) compute_dihedrals(); - else if (strcmp(word,"impropers") == 0) compute_impropers(); - else if (strcmp(word,"pxx") == 0) { if (!pressure) error->all(FLERR,"Thermo keyword in variable requires "