update colvars library to the state of 16 Oct 2014

This commit is contained in:
Axel Kohlmeyer
2014-10-16 17:46:56 -04:00
parent 9d25e7e8ec
commit ac3359b2d6
12 changed files with 135 additions and 109 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;