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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3097 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-08-18 17:57:16 +00:00
parent 5be42af223
commit 41888c9c0b
1 changed files with 12 additions and 12 deletions
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24
src/variable.cpp
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@ -670,7 +670,7 @@ double Variable::evaluate(char *str, Tree **tree)
if (nbracket == 0 && compute->scalar_flag) {
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (compute->invoked_scalar != update->ntimestep)
error->all("Compute used in variable between runs "
"is not current");
@ -694,7 +694,7 @@ double Variable::evaluate(char *str, Tree **tree)
if (index1 > compute->size_vector)
error->all("Compute vector in variable formula is too small");
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (compute->invoked_vector != update->ntimestep)
error->all("Compute used in variable between runs "
"is not current");
@ -719,7 +719,7 @@ double Variable::evaluate(char *str, Tree **tree)
if (tree == NULL)
error->all("Per-atom compute in equal-style variable formula");
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (compute->invoked_peratom != update->ntimestep)
error->all("Compute used in variable between runs "
"is not current");
@ -740,7 +740,7 @@ double Variable::evaluate(char *str, Tree **tree)
} else if (nbracket == 1 && index1 > 0 &&
compute->peratom_flag && compute->size_peratom == 0) {
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (compute->invoked_peratom != update->ntimestep)
error->all("Compute used in variable between runs "
"is not current");
@ -761,7 +761,7 @@ double Variable::evaluate(char *str, Tree **tree)
error->all("Per-atom compute in equal-style variable formula");
if (index2 > compute->size_peratom)
error->all("Compute vector in variable formula is too small");
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (compute->invoked_peratom != update->ntimestep)
error->all("Compute used in variable between runs "
"is not current");
@ -784,7 +784,7 @@ double Variable::evaluate(char *str, Tree **tree)
if (index2 > compute->size_peratom)
error->all("Compute vector in variable formula is too small");
if (update->whichflag < 0) {
if (update->whichflag == 0) {
if (compute->invoked_peratom != update->ntimestep)
error->all("Compute used in variable between runs "
"is not current");
@ -838,7 +838,7 @@ double Variable::evaluate(char *str, Tree **tree)
if (nbracket == 0 && fix->scalar_flag) {
if (update->whichflag >= 0 &&
if (update->whichflag > 0 &&
update->ntimestep % fix->scalar_vector_freq)
error->all("Fix in variable not computed at compatible time");
value1 = fix->compute_scalar();
@ -856,7 +856,7 @@ double Variable::evaluate(char *str, Tree **tree)
if (index1 > fix->size_vector)
error->all("Fix vector in variable formula is too small");
if (update->whichflag >= 0 &&
if (update->whichflag > 0 &&
update->ntimestep % fix->scalar_vector_freq)
error->all("Fix in variable not computed at compatible time");
value1 = fix->compute_vector(index1-1);
@ -875,7 +875,7 @@ double Variable::evaluate(char *str, Tree **tree)
if (tree == NULL)
error->all("Per-atom fix in equal-style variable formula");
if (update->whichflag >= 0 &&
if (update->whichflag > 0 &&
update->ntimestep % fix->peratom_freq)
error->all("Fix in variable not computed at compatible time");
Tree *newtree = new Tree();
@ -890,7 +890,7 @@ double Variable::evaluate(char *str, Tree **tree)
} else if (nbracket == 1 && index1 > 0 &&
fix->peratom_flag && fix->size_peratom == 0) {
if (update->whichflag >= 0 &&
if (update->whichflag > 0 &&
update->ntimestep % fix->peratom_freq)
error->all("Fix in variable not computed at compatible time");
peratom2global(1,NULL,fix->scalar_atom,1,index1,
@ -905,7 +905,7 @@ double Variable::evaluate(char *str, Tree **tree)
error->all("Per-atom fix in equal-style variable formula");
if (index2 > fix->size_peratom)
error->all("Fix vector in variable formula is too small");
if (update->whichflag >= 0 &&
if (update->whichflag > 0 &&
update->ntimestep % fix->peratom_freq)
error->all("Fix in variable not computed at compatible time");
Tree *newtree = new Tree();
@ -922,7 +922,7 @@ double Variable::evaluate(char *str, Tree **tree)
if (index2 > fix->size_peratom)
error->all("Fix vector in variable formula is too small");
if (update->whichflag >= 0 &&
if (update->whichflag > 0 &&
update->ntimestep % fix->peratom_freq)
error->all("Fix in variable not computed at compatible time");
peratom2global(1,NULL,&fix->vector_atom[0][index2-1],