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allow ramp(x,y) to be used in between runs (returning x) and avoid division by zero on run 0

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This commit is contained in:
Axel Kohlmeyer
2022-07-15 05:39:17 -04:00
parent a829d607ce
commit 9e1685211b
2 changed files with 28 additions and 13 deletions
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37
src/variable.cpp
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@ -2561,9 +2561,14 @@ double Variable::collapse_tree(Tree *tree)
arg2 = collapse_tree(tree->second);
if (tree->first->type != VALUE || tree->second->type != VALUE) return 0.0;
tree->type = VALUE;
double delta = update->ntimestep - update->beginstep;
if (delta != 0.0) delta /= update->endstep - update->beginstep;
tree->value = arg1 + delta*(arg2-arg1);
if (update->whichflag == 0) {
tree->value = arg1;
} else {
double delta = update->ntimestep - update->beginstep;
if ((delta != 0.0) && (update->beginstep != update->endstep))
delta /= update->endstep - update->beginstep;
tree->value = arg1 + delta*(arg2-arg1);
}
return tree->value;
}
@ -2935,9 +2940,14 @@ double Variable::eval_tree(Tree *tree, int i)
if (tree->type == RAMP) {
arg1 = eval_tree(tree->first,i);
arg2 = eval_tree(tree->second,i);
double delta = update->ntimestep - update->beginstep;
if (delta != 0.0) delta /= update->endstep - update->beginstep;
arg = arg1 + delta*(arg2-arg1);
if (update->whichflag == 0) {
arg = arg1;
} else {
double delta = update->ntimestep - update->beginstep;
if ((delta != 0.0) && (update->beginstep != update->endstep))
delta /= update->endstep - update->beginstep;
arg = arg1 + delta*(arg2-arg1);
}
return arg;
}
@ -3445,14 +3455,17 @@ int Variable::math_function(char *word, char *contents, Tree **tree, Tree **tree
} else if (strcmp(word,"ramp") == 0) {
if (narg != 2)
print_var_error(FLERR,"Invalid math function in variable formula",ivar);
if (update->whichflag == 0)
print_var_error(FLERR,"Cannot use ramp in variable formula between runs",ivar);
if (tree) newtree->type = RAMP;
else {
double delta = update->ntimestep - update->beginstep;
if (delta != 0.0) delta /= update->endstep - update->beginstep;
double value = value1 + delta*(value2-value1);
argstack[nargstack++] = value;
if (update->whichflag == 0) {
argstack[nargstack++] = value1;
} else {
double delta = update->ntimestep - update->beginstep;
if ((delta != 0.0) && (update->beginstep != update->endstep))
delta /= update->endstep - update->beginstep;
double value = value1 + delta*(value2-value1);
argstack[nargstack++] = value;
}
}
} else if (strcmp(word,"stagger") == 0) {