git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12650 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2014-10-28 19:53:17 +00:00
parent 7cea65198f
commit 51a148df16
18 changed files with 632 additions and 274 deletions

View File

@ -214,10 +214,7 @@ int colvarscript::proc_colvar (int argc, char const *argv[]) {
}
if (subcmd == "update") {
// note: this is not sufficient for a newly created colvar
// as atom coordinates may not be properly loaded
// a full CVM update is required
// or otherwise updating atom positions
cv->calc();
cv->update();
result = cvm::to_str(cv->value(), 0, cvm::cv_prec);
return COLVARSCRIPT_OK;