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update colvars library to version 2016-06-09

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This commit is contained in:
Axel Kohlmeyer
2016-06-10 05:54:06 -04:00
parent 470cefbba1
commit 48cec4d7d2
34 changed files with 796 additions and 505 deletions
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6
lib/colvars/colvardeps.cpp
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@ -196,7 +196,7 @@ int cvm::deps::enable(int feature_id,
void cvm::deps::init_cvb_requires() {
int i;
if (features().size() == 0) {
for (i = 0; i < f_cv_ntot; i++) {
for (i = 0; i < f_cvb_ntot; i++) {
features().push_back(new feature);
}
}
@ -399,7 +399,7 @@ void cvm::deps::init_ag_requires() {
f_description(f_ag_active, "active");
f_description(f_ag_center, "translational fit");
f_description(f_ag_rotate, "rotational fit");
f_description(f_ag_ref_pos_group, "reference positions group");
f_description(f_ag_fitting_group, "reference positions group");
f_description(f_ag_fit_gradient_group, "fit gradient for main group");
f_description(f_ag_fit_gradient_ref, "fit gradient for reference group");
f_description(f_ag_atom_forces, "atomic forces");
@ -413,7 +413,7 @@ void cvm::deps::init_ag_requires() {
// f_description(f_ag_min_msd_fit, "minimum MSD fit")
// f_req_self(f_ag_min_msd_fit, f_ag_center)
// f_req_self(f_ag_min_msd_fit, f_ag_rotate)
// f_req_exclude(f_ag_min_msd_fit, f_ag_ref_pos_group)
// f_req_exclude(f_ag_min_msd_fit, f_ag_fitting_group)
}
// Initialize feature_states for each instance