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Plimpton
2021-01-21 12:16:39 -07:00
parent 2c1b6adce3
commit 20650dc7ce
5 changed files with 15 additions and 11 deletions
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5
src/thermo.cpp
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@ -1366,7 +1366,8 @@ int Thermo::evaluate_keyword(const char *word, double *answer)
compute_enthalpy();
} else if (strcmp(word,"ecouple") == 0) compute_ecouple();
} else if (strcmp(word,"econserve") == 0) {
else if (strcmp(word,"econserve") == 0) {
if (!pe)
error->all(FLERR,
"Thermo keyword in variable requires thermo to use/init pe");
@ -1765,7 +1766,7 @@ void Thermo::compute_etotal()
void Thermo::compute_ecouple()
{
dvalue = modify->ecouple();
dvalue = modify->energy_couple();
}
/* ---------------------------------------------------------------------- */