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subroutine, public | colvar_types::colvar_create (colvar, colvar_id) |
| initializes a colvar_param type
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subroutine, public | colvar_types::colvar_setup (colvar) |
| Finalize the setup of the collective variable.
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recursive subroutine, public | colvar_types::colvar_release (colvar) |
| releases the memory that might have been allocated by the colvar
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recursive subroutine, public | colvar_types::colvar_clone (colvar_out, colvar_in, i_atom_offset) |
| Clone a colvar type.
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subroutine, public | colvar_types::colvar_p_reallocate (colvar_set, lb1_new, ub1_new) |
| Change the dimension of a colvar_p_type.
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subroutine, public | colvar_types::colvar_p_release (colvar_p) |
| Deallocate a set of colvar_p_type.
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subroutine, public | colvar_types::eval_point_pos (point, particles, r) |
| Evaluate the position of the geometrical point.
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subroutine, public | colvar_types::eval_point_mass (point, particles, m) |
| ...
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subroutine, public | colvar_types::eval_point_der (points, i, dsdr, f) |
| Evaluate the position of the geometrical point.
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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
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integer, parameter, public | colvar_types::plane_def_atoms = 0 |
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integer, parameter, public | colvar_types::plane_def_vec = 1 |
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integer, parameter, public | colvar_types::do_clv_geo_center = 0 |
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integer, parameter, public | colvar_types::do_clv_fix_point = 1 |
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integer, parameter, public | colvar_types::do_clv_xyz = 0 |
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integer, parameter, public | colvar_types::do_clv_x = 1 |
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integer, parameter, public | colvar_types::do_clv_y = 2 |
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integer, parameter, public | colvar_types::do_clv_z = 3 |
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integer, parameter, public | colvar_types::do_clv_xy = 4 |
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integer, parameter, public | colvar_types::do_clv_xz = 5 |
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integer, parameter, public | colvar_types::do_clv_yz = 6 |
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integer, parameter, public | colvar_types::no_colvar_id = -2 |
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integer, parameter, public | colvar_types::dist_colvar_id = 1 |
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integer, parameter, public | colvar_types::coord_colvar_id = 2 |
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integer, parameter, public | colvar_types::torsion_colvar_id = 3 |
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integer, parameter, public | colvar_types::angle_colvar_id = 4 |
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integer, parameter, public | colvar_types::plane_distance_colvar_id = 5 |
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integer, parameter, public | colvar_types::rotation_colvar_id = 6 |
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integer, parameter, public | colvar_types::dfunct_colvar_id = 7 |
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integer, parameter, public | colvar_types::qparm_colvar_id = 8 |
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integer, parameter, public | colvar_types::hydronium_shell_colvar_id = 9 |
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integer, parameter, public | colvar_types::reaction_path_colvar_id = 10 |
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integer, parameter, public | colvar_types::combine_colvar_id = 11 |
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integer, parameter, public | colvar_types::population_colvar_id = 12 |
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integer, parameter, public | colvar_types::plane_plane_angle_colvar_id = 13 |
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integer, parameter, public | colvar_types::gyration_colvar_id = 14 |
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integer, parameter, public | colvar_types::rmsd_colvar_id = 15 |
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integer, parameter, public | colvar_types::distance_from_path_colvar_id = 16 |
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integer, parameter, public | colvar_types::xyz_diag_colvar_id = 17 |
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integer, parameter, public | colvar_types::xyz_outerdiag_colvar_id = 18 |
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integer, parameter, public | colvar_types::u_colvar_id = 19 |
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integer, parameter, public | colvar_types::wc_colvar_id = 20 |
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integer, parameter, public | colvar_types::hbp_colvar_id = 21 |
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integer, parameter, public | colvar_types::ring_puckering_colvar_id = 22 |
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integer, parameter, public | colvar_types::mindist_colvar_id = 23 |
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integer, parameter, public | colvar_types::acid_hyd_dist_colvar_id = 24 |
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integer, parameter, public | colvar_types::acid_hyd_shell_colvar_id = 25 |
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integer, parameter, public | colvar_types::hydronium_dist_colvar_id = 26 |
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