input_cp2k_constraints.f90 File Reference

#include "cp_common_uses.h"

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Namespaces
namespace	input_cp2k_constraints
Functions
subroutine, public	input_cp2k_constraints::create_constraint_section (section, error)
	Create the constraint section. This section is useful to impose constraints.
subroutine	input_cp2k_constraints::create_clv_rest_section (section, error)
	Create the restart section for colvar restraints This section will be only used for restraint restarts. Constraints are handled automatically.
subroutine	input_cp2k_constraints::create_f_a_rest_section (section, error)
	Create the restart section for fixed atoms restraints This section will be only used for restraint restarts. Constraints are handled automatically.
subroutine	input_cp2k_constraints::restraint_info_section (section, error)
	Create the restraint info section in the constraint section.
subroutine	input_cp2k_constraints::create_collective_section (section, error)
	Create the constraint section for collective constraints.
subroutine	input_cp2k_constraints::create_fixed_atom_section (section, error)
	Create the constraint section that fixes atoms.
subroutine	input_cp2k_constraints::create_g3x3_section (section, error)
	Create the constraint section specialized on g3x3 constraints.
subroutine	input_cp2k_constraints::create_hbonds_section (section, error)
	Create the constraint section specialized on H BONDS constraints.
subroutine	input_cp2k_constraints::create_g4x6_section (section, error)
	Create the constraint section specialized on g4x6 constraints.
subroutine	input_cp2k_constraints::create_vsite_section (section, error)
	Create the constraint section specialized on vsite constraints.
Variables
LOGICAL, parameter, private	input_cp2k_constraints::debug_this_module = .TRUE.
CHARACTER(len=*), parameter, private	input_cp2k_constraints::moduleN = 'input_cp2k_constraints'