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disallow use of variable functions vdisplace(), swiggle(), and cwiggle() with fix dt/reset

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This commit is contained in:
Axel Kohlmeyer
2022-07-15 22:30:40 -04:00
parent d51069b363
commit 34aca71258
2 changed files with 23 additions and 21 deletions
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30
src/variable.cpp
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@ -2735,7 +2735,7 @@ double Variable::collapse_tree(Tree *tree)
tree->extra[0]->type != VALUE) return 0.0;
tree->type = VALUE;
if (arg3 == 0.0)
error->one(FLERR,"Invalid math function in variable formula");
error->one(FLERR,"Invalid swiggle(x,y,z) function in variable formula: z must be > 0");
double delta = update->ntimestep - update->beginstep;
double omega = 2.0*MY_PI/arg3;
tree->value = arg1 + arg2*sin(omega*delta*update->dt);
@ -2750,7 +2750,7 @@ double Variable::collapse_tree(Tree *tree)
tree->extra[0]->type != VALUE) return 0.0;
tree->type = VALUE;
if (arg3 == 0.0)
error->one(FLERR,"Invalid math function in variable formula");
error->one(FLERR,"Invalid cwiggle(x,y,z) function in variable formula: z must be > 0");
double delta = update->ntimestep - update->beginstep;
double omega = 2.0*MY_PI/arg3;
tree->value = arg1 + arg2*(1.0-cos(omega*delta*update->dt));
@ -3064,7 +3064,7 @@ double Variable::eval_tree(Tree *tree, int i)
arg2 = eval_tree(tree->second,i);
arg3 = eval_tree(tree->extra[0],i);
if (arg3 == 0.0)
error->one(FLERR,"Invalid math function in variable formula");
error->one(FLERR,"Invalid swiggle(x,y,z) function in variable formula: z must be > 0");
double delta = update->ntimestep - update->beginstep;
double omega = 2.0*MY_PI/arg3;
arg = arg1 + arg2*sin(omega*delta*update->dt);
@ -3076,7 +3076,7 @@ double Variable::eval_tree(Tree *tree, int i)
arg2 = eval_tree(tree->second,i);
arg3 = eval_tree(tree->extra[0],i);
if (arg3 == 0.0)
error->one(FLERR,"Invalid math function in variable formula");
error->one(FLERR,"Invalid cwiggle(x,y,z) function in variable formula: z must be > 0");
double delta = update->ntimestep - update->beginstep;
double omega = 2.0*MY_PI/arg3;
arg = arg1 + arg2*(1.0-cos(omega*delta*update->dt));
@ -3623,9 +3623,9 @@ int Variable::math_function(char *word, char *contents, Tree **tree, Tree **tree
} else if (strcmp(word,"vdisplace") == 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 vdisplace in variable formula between runs",ivar);
print_var_error(FLERR,"Invalid vdisplace function in variable formula: must have 2 arguments",ivar);
if (modify->get_fix_by_style("dt/reset").size() > 0)
print_var_error(FLERR,"Must not use vdisplace(x,y) function with fix dt/reset",ivar);
if (tree) newtree->type = VDISPLACE;
else {
double delta = update->ntimestep - update->beginstep;
@ -3635,13 +3635,13 @@ int Variable::math_function(char *word, char *contents, Tree **tree, Tree **tree
} else if (strcmp(word,"swiggle") == 0) {
if (narg != 3)
print_var_error(FLERR,"Invalid math function in variable formula",ivar);
if (update->whichflag == 0)
print_var_error(FLERR,"Cannot use swiggle in variable formula between runs",ivar);
print_var_error(FLERR,"Invalid swiggle function in variable formula: must have 3 arguments",ivar);
if (modify->get_fix_by_style("dt/reset").size() > 0)
print_var_error(FLERR,"Must not use swiggle(x,y,z) function with fix dt/reset",ivar);
if (tree) newtree->type = SWIGGLE;
else {
if (values[0] == 0.0)
print_var_error(FLERR,"Invalid math function in variable formula",ivar);
print_var_error(FLERR,"Invalid swiggle(x,y,z) function in variable formula: z must be > 0",ivar);
double delta = update->ntimestep - update->beginstep;
double omega = 2.0*MY_PI/values[0];
double value = value1 + value2*sin(omega*delta*update->dt);
@ -3650,13 +3650,13 @@ int Variable::math_function(char *word, char *contents, Tree **tree, Tree **tree
} else if (strcmp(word,"cwiggle") == 0) {
if (narg != 3)
print_var_error(FLERR,"Invalid math function in variable formula",ivar);
if (update->whichflag == 0)
print_var_error(FLERR,"Cannot use cwiggle in variable formula between runs",ivar);
print_var_error(FLERR,"Invalid cwiggle function in variable formula: must have 3 arguments",ivar);
if (modify->get_fix_by_style("dt/reset").size() > 0)
print_var_error(FLERR,"Must not use cwiggle(x,y,z) function with fix dt/reset",ivar);
if (tree) newtree->type = CWIGGLE;
else {
if (values[0] == 0.0)
print_var_error(FLERR,"Invalid math function in variable formula",ivar);
print_var_error(FLERR,"Invalid cwiggle(x,y,z) function in variable formula: z must be > 0",ivar);
double delta = update->ntimestep - update->beginstep;
double omega = 2.0*MY_PI/values[0];
double value = value1 + value2*(1.0-cos(omega*delta*update->dt));