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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@937 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2007-10-03 16:22:30 +00:00
parent 92ff097469
commit 9be7620ace
96 changed files with 3347 additions and 3735 deletions
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28
src/variable.cpp
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@ -217,7 +217,7 @@ void Variable::set(char *name, char *value)
{
char **newarg = new char*[3];
newarg[0] = name;
newarg[1] = "index";
newarg[1] = (char *) "index";
newarg[2] = value;
set(3,newarg);
delete [] newarg;
@ -697,28 +697,32 @@ double Variable::evaluate(char *str, Tree *tree)
modify->compute[icompute]->init();
// call compute() if index = 0, else compute_vector()
// make pre-call to Compute object's id_pre if it is defined
// make pre-call to Compute object's pre-compute(s) if defined
int index = atoi(arg);
if (index == 0) {
if (modify->compute[icompute]->scalar_flag == 0)
error->all("Variable compute ID does not compute scalar info");
if (modify->compute[icompute]->id_pre) {
int ipre = modify->find_compute(modify->compute[icompute]->id_pre);
if (ipre < 0) error->all("Could not pre-compute in variable");
answer = modify->compute[ipre]->compute_scalar();
}
if (modify->compute[icompute]->npre)
for (int ic = 0; ic < modify->compute[icompute]->npre; ic++) {
int ipre =
modify->find_compute(modify->compute[icompute]->id_pre[ic]);
if (ipre < 0) error->all("Could not pre-compute in variable");
double tmp = modify->compute[ipre]->compute_scalar();
}
answer = modify->compute[icompute]->compute_scalar();
} else if (index > 0) {
if (modify->compute[icompute]->vector_flag == 0)
error->all("Variable compute ID does not compute scalar info");
if (index > modify->compute[icompute]->size_vector)
error->all("Variable compute ID vector is not large enough");
if (modify->compute[icompute]->id_pre) {
int ipre = modify->find_compute(modify->compute[icompute]->id_pre);
if (ipre < 0) error->all("Could not pre-compute in variable");
modify->compute[ipre]->compute_vector();
}
if (modify->compute[icompute]->npre)
for (int ic = 0; ic < modify->compute[icompute]->npre; ic++) {
int ipre =
modify->find_compute(modify->compute[icompute]->id_pre[ic]);
if (ipre < 0) error->all("Could not pre-compute in variable");
modify->compute[ipre]->compute_vector();
}
modify->compute[icompute]->compute_vector();
answer = modify->compute[icompute]->vector[index-1];
} else error->all("Invalid compute ID index in variable");