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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3087 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-08-18 17:54:17 +00:00
parent 1ed625bb28
commit 1d79de28b3
1 changed files with 17 additions and 17 deletions
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34
src/thermo.cpp
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@ -393,7 +393,7 @@ void Thermo::modify_params(int narg, char **arg)
if (icompute < 0) error->all("Pressure ID for thermo does not exist");
} else icompute = modify->find_compute((char *) "thermo_press");
modify->compute[icompute]->reset_extra_compute(arg[iarg+1]);
modify->compute[icompute]->reset_extra_compute_fix(arg[iarg+1]);
iarg += 2;
@ -832,14 +832,14 @@ int Thermo::evaluate_keyword(char *word, double *answer)
dvalue = ivalue;
} else if (strcmp(word,"cpu") == 0) {
if (update->whichflag < 0) firststep = 0;
if (update->whichflag == 0) firststep = 0;
compute_cpu();
} else if (strcmp(word,"temp") == 0) {
if (!temperature)
error->all("Thermo keyword in variable requires "
"thermo to use/init temp");
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (temperature->invoked_scalar != update->ntimestep)
error->all("Compute used in variable thermo keyword between runs "
"is not current");
@ -853,7 +853,7 @@ int Thermo::evaluate_keyword(char *word, double *answer)
if (!pressure)
error->all("Thermo keyword in variable requires "
"thermo to use/init press");
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (pressure->invoked_scalar != update->ntimestep)
error->all("Compute used in variable thermo keyword between runs "
"is not current");
@ -866,7 +866,7 @@ int Thermo::evaluate_keyword(char *word, double *answer)
} else if (strcmp(word,"pe") == 0) {
if (!pe)
error->all("Thermo keyword in variable requires thermo to use/init pe");
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (pe->invoked_scalar != update->ntimestep)
error->all("Compute used in variable thermo keyword between runs "
"is not current");
@ -880,7 +880,7 @@ int Thermo::evaluate_keyword(char *word, double *answer)
if (!temperature)
error->all("Thermo keyword in variable requires "
"thermo to use/init temp");
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (temperature->invoked_scalar != update->ntimestep)
error->all("Compute used in variable thermo keyword between runs "
"is not current");
@ -893,7 +893,7 @@ int Thermo::evaluate_keyword(char *word, double *answer)
} else if (strcmp(word,"etotal") == 0) {
if (!pe)
error->all("Thermo keyword in variable requires thermo to use/init pe");
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (pe->invoked_scalar != update->ntimestep)
error->all("Compute used in variable thermo keyword between runs "
"is not current");
@ -904,7 +904,7 @@ int Thermo::evaluate_keyword(char *word, double *answer)
if (!temperature)
error->all("Thermo keyword in variable requires "
"thermo to use/init temp");
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (temperature->invoked_scalar != update->ntimestep)
error->all("Compute used in variable thermo keyword between runs "
"is not current");
@ -917,7 +917,7 @@ int Thermo::evaluate_keyword(char *word, double *answer)
} else if (strcmp(word,"enthalpy") == 0) {
if (!pe)
error->all("Thermo keyword in variable requires thermo to use/init pe");
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (pe->invoked_scalar != update->ntimestep)
error->all("Compute used in variable thermo keyword between runs "
"is not current");
@ -928,7 +928,7 @@ int Thermo::evaluate_keyword(char *word, double *answer)
if (!temperature)
error->all("Thermo keyword in variable requires "
"thermo to use/init temp");
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (temperature->invoked_scalar != update->ntimestep)
error->all("Compute used in variable thermo keyword between runs "
"is not current");
@ -939,7 +939,7 @@ int Thermo::evaluate_keyword(char *word, double *answer)
if (!pressure)
error->all("Thermo keyword in variable requires "
"thermo to use/init press");
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (pressure->invoked_scalar != update->ntimestep)
error->all("Compute used in variable thermo keyword between runs "
"is not current");
@ -1049,7 +1049,7 @@ int Thermo::evaluate_keyword(char *word, double *answer)
if (!pressure)
error->all("Thermo keyword in variable requires "
"thermo to use/init press");
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (pressure->invoked_vector != update->ntimestep)
error->all("Compute used in variable thermo keyword between runs "
"is not current");
@ -1063,7 +1063,7 @@ int Thermo::evaluate_keyword(char *word, double *answer)
if (!pressure)
error->all("Thermo keyword in variable requires "
"thermo to use/init press");
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (pressure->invoked_vector != update->ntimestep)
error->all("Compute used in variable thermo keyword between runs "
"is not current");
@ -1077,7 +1077,7 @@ int Thermo::evaluate_keyword(char *word, double *answer)
if (!pressure)
error->all("Thermo keyword in variable requires "
"thermo to use/init press");
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (pressure->invoked_vector != update->ntimestep)
error->all("Compute used in variable thermo keyword between runs "
"is not current");
@ -1091,7 +1091,7 @@ int Thermo::evaluate_keyword(char *word, double *answer)
if (!pressure)
error->all("Thermo keyword in variable requires "
"thermo to use/init press");
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (pressure->invoked_vector != update->ntimestep)
error->all("Compute used in variable thermo keyword between runs "
"is not current");
@ -1105,7 +1105,7 @@ int Thermo::evaluate_keyword(char *word, double *answer)
if (!pressure)
error->all("Thermo keyword in variable requires "
"thermo to use/init press");
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (pressure->invoked_vector != update->ntimestep)
error->all("Compute used in variable thermo keyword between runs "
"is not current");
@ -1119,7 +1119,7 @@ int Thermo::evaluate_keyword(char *word, double *answer)
if (!pressure)
error->all("Thermo keyword in variable requires "
"thermo to use/init press");
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (pressure->invoked_vector != update->ntimestep)
error->all("Compute used in variable thermo keyword between runs "
"is not current");