parameters for a collective variable More...

Data Fields
integer	type_id = -1

logical	use_points = .FALSE.

real(kind=dp)	ss = 0.0_dp

real(kind=dp), dimension(:, :), pointer	dsdr => NULL()

integer, dimension(:), pointer	i_atom => NULL()

integer	n_atom_s = -1

type(dist_colvar_type), pointer	dist_param => NULL()

type(coord_colvar_type), pointer	coord_param => NULL()

type(population_colvar_type), pointer	population_param => NULL()

type(gyration_colvar_type), pointer	gyration_param => NULL()

type(torsion_colvar_type), pointer	torsion_param => NULL()

type(angle_colvar_type), pointer	angle_param => NULL()

type(plane_distance_colvar_type), pointer	plane_distance_param => NULL()

type(plane_plane_angle_colvar_type), pointer	plane_plane_angle_param => NULL()

type(rotation_colvar_type), pointer	rotation_param => NULL()

type(dfunct_colvar_type), pointer	dfunct_param => NULL()

type(qparm_colvar_type), pointer	qparm_param => NULL()

type(hydronium_shell_colvar_type), pointer	hydronium_shell_param => NULL()

type(hydronium_dist_colvar_type), pointer	hydronium_dist_param => NULL()

type(acid_hyd_dist_colvar_type), pointer	acid_hyd_dist_param => NULL()

type(acid_hyd_shell_colvar_type), pointer	acid_hyd_shell_param => NULL()

type(reaction_path_colvar_type), pointer	reaction_path_param => NULL()

type(combine_colvar_type), pointer	combine_cvs_param => NULL()

type(rmsd_colvar_type), pointer	rmsd_param => NULL()

type(xyz_diag_colvar_type), pointer	xyz_diag_param => NULL()

type(xyz_outerdiag_colvar_type), pointer	xyz_outerdiag_param => NULL()

type(u_colvar_type), pointer	u_param => NULL()

type(point_type), dimension(:), pointer	points => NULL()

type(wc_colvar_type), pointer	wc => NULL()

type(hbp_colvar_type), pointer	hbp => NULL()

type(ring_puckering_colvar_type), pointer	ring_puckering_param => NULL()

type(mindist_colvar_type), pointer	mindist_param => NULL()

Detailed Description

parameters for a collective variable

Author: alessandro laio and fawzi mohamed

Definition at line 346 of file colvar_types.F.

Field Documentation

◆ type_id

integer colvar_types::colvar_type::type_id = -1

Definition at line 347 of file colvar_types.F.

◆ use_points

logical colvar_types::colvar_type::use_points = .FALSE.

Definition at line 348 of file colvar_types.F.

◆ ss

real(kind=dp) colvar_types::colvar_type::ss = 0.0_dp

Definition at line 349 of file colvar_types.F.

◆ dsdr

real(kind=dp), dimension(:, :), pointer colvar_types::colvar_type::dsdr => NULL()

Definition at line 350 of file colvar_types.F.

◆ i_atom

integer, dimension(:), pointer colvar_types::colvar_type::i_atom => NULL()

Definition at line 351 of file colvar_types.F.

◆ n_atom_s

integer colvar_types::colvar_type::n_atom_s = -1

Definition at line 352 of file colvar_types.F.

◆ dist_param

type(dist_colvar_type), pointer colvar_types::colvar_type::dist_param => NULL()

Definition at line 354 of file colvar_types.F.

◆ coord_param

type(coord_colvar_type), pointer colvar_types::colvar_type::coord_param => NULL()

Definition at line 355 of file colvar_types.F.

◆ population_param

type(population_colvar_type), pointer colvar_types::colvar_type::population_param => NULL()

Definition at line 356 of file colvar_types.F.

◆ gyration_param

type(gyration_colvar_type), pointer colvar_types::colvar_type::gyration_param => NULL()

Definition at line 357 of file colvar_types.F.

◆ torsion_param

type(torsion_colvar_type), pointer colvar_types::colvar_type::torsion_param => NULL()

Definition at line 358 of file colvar_types.F.

◆ angle_param

type(angle_colvar_type), pointer colvar_types::colvar_type::angle_param => NULL()

Definition at line 359 of file colvar_types.F.

◆ plane_distance_param

type(plane_distance_colvar_type), pointer colvar_types::colvar_type::plane_distance_param => NULL()

Definition at line 360 of file colvar_types.F.

◆ plane_plane_angle_param

type(plane_plane_angle_colvar_type), pointer colvar_types::colvar_type::plane_plane_angle_param => NULL()

Definition at line 361 of file colvar_types.F.

◆ rotation_param

type(rotation_colvar_type), pointer colvar_types::colvar_type::rotation_param => NULL()

Definition at line 362 of file colvar_types.F.

◆ dfunct_param

type(dfunct_colvar_type), pointer colvar_types::colvar_type::dfunct_param => NULL()

Definition at line 363 of file colvar_types.F.

◆ qparm_param

type(qparm_colvar_type), pointer colvar_types::colvar_type::qparm_param => NULL()

Definition at line 364 of file colvar_types.F.

◆ hydronium_shell_param

type(hydronium_shell_colvar_type), pointer colvar_types::colvar_type::hydronium_shell_param => NULL()

Definition at line 365 of file colvar_types.F.

◆ hydronium_dist_param

type(hydronium_dist_colvar_type), pointer colvar_types::colvar_type::hydronium_dist_param => NULL()

Definition at line 366 of file colvar_types.F.

◆ acid_hyd_dist_param

type(acid_hyd_dist_colvar_type), pointer colvar_types::colvar_type::acid_hyd_dist_param => NULL()

Definition at line 367 of file colvar_types.F.

◆ acid_hyd_shell_param

type(acid_hyd_shell_colvar_type), pointer colvar_types::colvar_type::acid_hyd_shell_param => NULL()

Definition at line 368 of file colvar_types.F.

◆ reaction_path_param

type(reaction_path_colvar_type), pointer colvar_types::colvar_type::reaction_path_param => NULL()

Definition at line 369 of file colvar_types.F.

◆ combine_cvs_param

type(combine_colvar_type), pointer colvar_types::colvar_type::combine_cvs_param => NULL()

Definition at line 370 of file colvar_types.F.

◆ rmsd_param

type(rmsd_colvar_type), pointer colvar_types::colvar_type::rmsd_param => NULL()

Definition at line 371 of file colvar_types.F.

◆ xyz_diag_param

type(xyz_diag_colvar_type), pointer colvar_types::colvar_type::xyz_diag_param => NULL()

Definition at line 372 of file colvar_types.F.

◆ xyz_outerdiag_param

type(xyz_outerdiag_colvar_type), pointer colvar_types::colvar_type::xyz_outerdiag_param => NULL()

Definition at line 373 of file colvar_types.F.

◆ u_param

type(u_colvar_type), pointer colvar_types::colvar_type::u_param => NULL()

Definition at line 374 of file colvar_types.F.

◆ points

type(point_type), dimension(:), pointer colvar_types::colvar_type::points => NULL()

Definition at line 375 of file colvar_types.F.

◆ wc

type(wc_colvar_type), pointer colvar_types::colvar_type::wc => NULL()

Definition at line 376 of file colvar_types.F.

◆ hbp

type(hbp_colvar_type), pointer colvar_types::colvar_type::hbp => NULL()

Definition at line 377 of file colvar_types.F.

◆ ring_puckering_param

type(ring_puckering_colvar_type), pointer colvar_types::colvar_type::ring_puckering_param => NULL()

Definition at line 378 of file colvar_types.F.

◆ mindist_param

type(mindist_colvar_type), pointer colvar_types::colvar_type::mindist_param => NULL()

Definition at line 379 of file colvar_types.F.

The documentation for this type was generated from the following file:

subsys/colvar_types.F

Data Fields