colvar_types.F File Reference

#include "../base/base_uses.f90"

Go to the source code of this file.

Modules
module	colvar_types
	Initialize the collective variables types.

Functions/Subroutines
subroutine, public	colvar_types::colvar_create (colvar, colvar_id)
	initializes a colvar_param type More...
subroutine, public	colvar_types::colvar_setup (colvar)
	Finalize the setup of the collective variable. More...
recursive subroutine, public	colvar_types::colvar_release (colvar)
	releases the memory that might have been allocated by the colvar More...
recursive subroutine, public	colvar_types::colvar_clone (colvar_out, colvar_in, i_atom_offset)
	Clone a colvar type. More...
subroutine, public	colvar_types::colvar_p_reallocate (colvar_set, lb1_new, ub1_new)
	Change the dimension of a colvar_p_type. More...
subroutine, public	colvar_types::colvar_p_release (colvar_p)
	Deallocate a set of colvar_p_type. More...
subroutine, public	colvar_types::eval_point_pos (point, particles, r)
	Evaluate the position of the geometrical point. More...
subroutine, public	colvar_types::eval_point_mass (point, particles, m)
	... More...
subroutine, public	colvar_types::eval_point_der (points, i, dsdr, f)
	Evaluate the position of the geometrical point. More...
real(kind=dp) function, public	colvar_types::diff_colvar (colvar, b)
	subtract b from the ss value of a colvar: general function for handling periodic/non-periodic colvar More...

Variables
integer, parameter, public	colvar_types::plane_def_atoms = 0
integer, parameter, public	colvar_types::plane_def_vec = 1
integer, parameter, public	colvar_types::do_clv_geo_center = 0
integer, parameter, public	colvar_types::do_clv_fix_point = 1
integer, parameter, public	colvar_types::do_clv_xyz = 0
integer, parameter, public	colvar_types::do_clv_x = 1
integer, parameter, public	colvar_types::do_clv_y = 2
integer, parameter, public	colvar_types::do_clv_z = 3
integer, parameter, public	colvar_types::do_clv_xy = 4
integer, parameter, public	colvar_types::do_clv_xz = 5
integer, parameter, public	colvar_types::do_clv_yz = 6
integer, parameter, public	colvar_types::no_colvar_id = -2
integer, parameter, public	colvar_types::dist_colvar_id = 1
integer, parameter, public	colvar_types::coord_colvar_id = 2
integer, parameter, public	colvar_types::torsion_colvar_id = 3
integer, parameter, public	colvar_types::angle_colvar_id = 4
integer, parameter, public	colvar_types::plane_distance_colvar_id = 5
integer, parameter, public	colvar_types::rotation_colvar_id = 6
integer, parameter, public	colvar_types::dfunct_colvar_id = 7
integer, parameter, public	colvar_types::qparm_colvar_id = 8
integer, parameter, public	colvar_types::hydronium_shell_colvar_id = 9
integer, parameter, public	colvar_types::reaction_path_colvar_id = 10
integer, parameter, public	colvar_types::combine_colvar_id = 11
integer, parameter, public	colvar_types::population_colvar_id = 12
integer, parameter, public	colvar_types::plane_plane_angle_colvar_id = 13
integer, parameter, public	colvar_types::gyration_colvar_id = 14
integer, parameter, public	colvar_types::rmsd_colvar_id = 15
integer, parameter, public	colvar_types::distance_from_path_colvar_id = 16
integer, parameter, public	colvar_types::xyz_diag_colvar_id = 17
integer, parameter, public	colvar_types::xyz_outerdiag_colvar_id = 18
integer, parameter, public	colvar_types::u_colvar_id = 19
integer, parameter, public	colvar_types::wc_colvar_id = 20
integer, parameter, public	colvar_types::hbp_colvar_id = 21
integer, parameter, public	colvar_types::ring_puckering_colvar_id = 22
integer, parameter, public	colvar_types::mindist_colvar_id = 23
integer, parameter, public	colvar_types::acid_hyd_dist_colvar_id = 24
integer, parameter, public	colvar_types::acid_hyd_shell_colvar_id = 25
integer, parameter, public	colvar_types::hydronium_dist_colvar_id = 26