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tweaks to code and doc page

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This commit is contained in:
Steve Plimpton
2025-05-01 12:57:27 -06:00
parent 76d0ead245
commit a2a2c541b5
2 changed files with 16 additions and 16 deletions
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12
src/variable.cpp
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@ -3534,7 +3534,7 @@ double Variable::eval_tree(Tree *tree, int i)
if (tree->type == SIGN)
return (eval_tree(tree->first,i) >= 0.0) ? 1.0 : -1.0; // sign(eval_tree(tree->first,i));
if (tree->type == PYFUNCTION) {
int narg = tree->argcount;
for (int iarg = 0; iarg < narg; iarg++) {
@ -3546,7 +3546,7 @@ double Variable::eval_tree(Tree *tree, int i)
arg = compute_equal(tree->pyvar);
return arg;
}
if (tree->type == GMASK) {
if (atom->mask[i] & tree->ivalue) return 1.0;
else return 0.0;
@ -4137,7 +4137,7 @@ int Variable::math_function(char *word, char *contents, Tree **tree, Tree **tree
double value = value1 + value2*(1.0-cos(omega*delta*update->dt));
argstack[nargstack++] = value;
}
} else if (strcmp(word,"sign") == 0) {
if (narg != 1)
print_var_error(FLERR,"Invalid math function in variable formula",ivar);
@ -4150,7 +4150,7 @@ int Variable::math_function(char *word, char *contents, Tree **tree, Tree **tree
} else if (strstr(word,"py_") == word) {
// text following py_ = python-style variable name
int pyvar = find(&word[3]);
if (style[pyvar] != PYTHON)
print_var_error(FLERR,"Invalid python function variable name",ivar);
@ -4160,7 +4160,7 @@ int Variable::math_function(char *word, char *contents, Tree **tree, Tree **tree
int *jvars = new int[narg];
char *internal_varname;
for (int iarg = 0; iarg < narg; iarg++) {
internal_varname = utils::strdup(fmt::format("pyarg{}", iarg+1));
jvars[iarg] = find(internal_varname);
@ -4173,7 +4173,7 @@ int Variable::math_function(char *word, char *contents, Tree **tree, Tree **tree
// if tree: store python variable and arg info in tree for later eval
// else: one-time eval of python function now
if (tree) {
newtree->type = PYFUNCTION;
newtree->pyvar = pyvar;