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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15430 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2016-08-03 19:32:03 +00:00
parent 1f6518400e
commit efaa84a4ea
6 changed files with 149 additions and 9 deletions
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9
lib/colvars/colvarmodule.cpp
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@ -308,16 +308,19 @@ int colvarmodule::parse_biases(std::string const &conf)
}
size_t n_hist_dep_biases = 0;
std::vector<std::string> hist_dep_biases_names;
for (i = 0; i < biases.size(); i++) {
if (biases[i]->is_enabled(cvm::deps::f_cvb_apply_force) &&
biases[i]->is_enabled(cvm::deps::f_cvb_history_dependent)) {
n_hist_dep_biases++;
hist_dep_biases_names.push_back(biases[i]->name);
}
}
if (n_hist_dep_biases) {
if (n_hist_dep_biases > 1) {
cvm::log("WARNING: there are "+cvm::to_str(n_hist_dep_biases)+
" history-dependent biases with non-zero force parameters; "
"please make sure that their forces do not counteract each other.\n");
" history-dependent biases with non-zero force parameters:\n"+
cvm::to_str(hist_dep_biases_names)+"\n"+
"Please make sure that their forces do not counteract each other.\n");
}
if (biases.size() || use_scripted_forces) {