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update colvars library to version 2016-09-30

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This commit is contained in:
Axel Kohlmeyer
2016-09-30 08:15:44 -04:00
parent f7b5afee82
commit 6d200061ca
20 changed files with 728 additions and 155 deletions
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8
lib/colvars/colvardeps.cpp
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@ -293,6 +293,9 @@ void colvardeps::init_cv_requires() {
f_description(f_cv_output_total_force, "output total force");
f_req_self(f_cv_output_total_force, f_cv_total_force);
f_description(f_cv_subtract_applied_force, "subtract applied force from total force");
f_req_self(f_cv_subtract_applied_force, f_cv_total_force);
f_description(f_cv_lower_boundary, "lower boundary");
f_req_self(f_cv_lower_boundary, f_cv_scalar);
@ -376,6 +379,11 @@ void colvardeps::init_cvc_requires() {
f_description(f_cvc_com_based, "depends on group centers of mass");
// Compute total force on first site only to avoid unwanted
// coupling to other colvars (see e.g. Ciccotti et al., 2005)
f_description(f_cvc_one_site_total_force, "compute total collective force only from one group center");
f_req_self(f_cvc_one_site_total_force, f_cvc_com_based);
f_description(f_cvc_scalable, "scalable calculation");
f_req_self(f_cvc_scalable, f_cvc_scalable_com);