## Documentation for module colvar_utils

evaluations of colvar for internal coordinates schemes

source: colvar_utils.F

#### public Subroutines/Functions:

Computes the values of colvars and the Wilson matrix B and its invers A
Computes the forces in the frame of collective variables, and additional also the local metric tensor
Gives back the number of colvar defined for a force_eval
Complete the description of the COORDINATION colvar when defined using KINDS
Set the value of target for constraints/restraints

#### SUBROUTINEeval_colvar(force_env, coords, cvalues, bmatrix, massi, amatrix)^

Computes the values of colvars and the Wilson matrix B and its invers A

##### Arguments:
 TYPE(force_env_type), POINTER :: force_env ... REAL(dp), INTENT(in), OPTIONAL :: coords(:) ... REAL(dp), INTENT(out) :: cvalues(:) ... REAL(dp), OPTIONAL, POINTER :: bmatrix(:,:) ... REAL(dp), OPTIONAL, POINTER :: massi(:) ... REAL(dp), OPTIONAL, POINTER :: amatrix(:,:) ...

#### SUBROUTINEget_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

##### Arguments:
 TYPE(force_env_type), POINTER :: force_env ... REAL(dp), INTENT(inout), OPTIONAL :: forces(:) ... REAL(dp), INTENT(inout), OPTIONAL :: coords(:) ... INTEGER, INTENT(in) :: nsize_xyz ... INTEGER, INTENT(in) :: nsize_int ... REAL(dp), INTENT(out) :: cvalues(:) ... REAL(dp), INTENT(out) :: mmatrix(:) ...

#### FUNCTIONnumber_of_colvar(force_env, only_intra_colvar, unique)^

Gives back the number of colvar defined for a force_eval

 Return Value :: INTEGER
##### Arguments:
 TYPE(force_env_type), POINTER :: force_env ... LOGICAL, INTENT(in), OPTIONAL :: only_intra_colvar ... LOGICAL, INTENT(in), OPTIONAL :: unique ...

#### SUBROUTINEpost_process_colvar(colvar, particles)^

Complete the description of the COORDINATION colvar when defined using KINDS

##### Arguments:
 TYPE(colvar_type), POINTER :: colvar ... TYPE(particle_type), OPTIONAL, POINTER :: particles(:) ...

#### SUBROUTINEset_colvars_target(targets, force_env)^

Set the value of target for constraints/restraints

##### Arguments:
 REAL(dp), INTENT(in) :: targets(:) ... TYPE(force_env_type), POINTER :: force_env ...