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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5562 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-01-18 15:23:32 +00:00
parent 8477268210
commit de9dfe44d4
1 changed files with 4 additions and 2 deletions
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6
src/thermo.cpp
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@ -941,18 +941,19 @@ int Thermo::evaluate_keyword(char *word, double *answer)
if (strcmp(word,"step") == 0) { if (strcmp(word,"step") == 0) {
compute_step(); compute_step();
dvalue = bivalue;
} else if (strcmp(word,"elapsed") == 0) { } else if (strcmp(word,"elapsed") == 0) {
if (update->whichflag == 0) if (update->whichflag == 0)
error->all("This variable thermo keyword cannot be used between runs"); error->all("This variable thermo keyword cannot be used between runs");
compute_elapsed(); compute_elapsed();
dvalue = ivalue; dvalue = bivalue;
} else if (strcmp(word,"elaplong") == 0) { } else if (strcmp(word,"elaplong") == 0) {
if (update->whichflag == 0) if (update->whichflag == 0)
error->all("This variable thermo keyword cannot be used between runs"); error->all("This variable thermo keyword cannot be used between runs");
compute_elapsed_long(); compute_elapsed_long();
dvalue = ivalue; dvalue = bivalue;
} else if (strcmp(word,"dt") == 0) { } else if (strcmp(word,"dt") == 0) {
compute_dt(); compute_dt();
@ -974,6 +975,7 @@ int Thermo::evaluate_keyword(char *word, double *answer)
} else if (strcmp(word,"atoms") == 0) { } else if (strcmp(word,"atoms") == 0) {
compute_atoms(); compute_atoms();
dvalue = bivalue;
} else if (strcmp(word,"temp") == 0) { } else if (strcmp(word,"temp") == 0) {
if (!temperature) if (!temperature)