| version 1.9 | version 1.10 |
|---|
| |
| if (is_available(f_cvc_scalable_com) && is_available(f_cvc_com_based)) { | if (is_available(f_cvc_scalable_com) && is_available(f_cvc_com_based)) { |
| enable(f_cvc_scalable_com); | enable(f_cvc_scalable_com); |
| enable(f_cvc_scalable); | enable(f_cvc_scalable); |
| group->enable(f_ag_scalable_com); | // The CVC makes the feature available; |
| group->enable(f_ag_scalable); | // the atom group will enable it unless it needs to compute a rotational fit |
| | group->provide(f_ag_scalable_com); |
| } | } |
| | |
| // TODO check for other types of parallelism here | // TODO check for other types of parallelism here |
| | |
| if (is_enabled(f_cvc_scalable)) { | |
| cvm::log("Will enable scalable calculation for group \""+group->key+"\".\n"); | |
| } | |
| } | } |
| | |
| if (group->parse(conf) == COLVARS_OK) { | if (group->parse(conf) == COLVARS_OK) { |