colvar_utils.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	colvar_utils
	evaluations of colvar for internal coordinates schemes

Functions/Subroutines
integer function, public	colvar_utils::number_of_colvar (force_env, only_intra_colvar, unique)
	Gives back the number of colvar defined for a force_eval.
subroutine, public	colvar_utils::set_colvars_target (targets, force_env)
	Set the value of target for constraints/restraints.
subroutine, public	colvar_utils::eval_colvar (force_env, coords, cvalues, bmatrix, massi, amatrix)
	Computes the values of colvars and the Wilson matrix B and its invers A.
subroutine, public	colvar_utils::get_clv_force (force_env, forces, coords, nsize_xyz, nsize_int, cvalues, mmatrix)
	Computes the forces in the frame of collective variables, and additional also the local metric tensor.
subroutine, public	colvar_utils::post_process_colvar (colvar, particles)
	Complete the description of the COORDINATION colvar when defined using KINDS.