Collective Variables Module - Developer Documentation
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colvarproxy_system Member List
This is the complete list of members for
colvarproxy_system
, including all inherited members.
accelMD_enabled
() const (defined in
colvarproxy_system
)
colvarproxy_system
inline
virtual
add_energy
(cvm::real energy)
colvarproxy_system
virtual
angstrom_to_internal
(cvm::real l) const
colvarproxy_system
inline
angstrom_value_
colvarproxy_system
protected
apply_force_dE_dlambda
(cvm::real *force)
colvarproxy_system
virtual
boltzmann
() const
colvarproxy_system
inline
boltzmann_
colvarproxy_system
protected
boundaries_non_periodic
enum value (defined in
colvarproxy_system
)
colvarproxy_system
protected
boundaries_pbc_ortho
enum value (defined in
colvarproxy_system
)
colvarproxy_system
protected
boundaries_pbc_triclinic
enum value (defined in
colvarproxy_system
)
colvarproxy_system
protected
Boundaries_type
enum name
colvarproxy_system
protected
boundaries_type
colvarproxy_system
protected
boundaries_unsupported
enum value (defined in
colvarproxy_system
)
colvarproxy_system
protected
cached_alch_lambda
colvarproxy_system
protected
cached_alch_lambda_changed
colvarproxy_system
protected
colvarproxy_system
()
colvarproxy_system
dt
() const
colvarproxy_system
inline
get_accelMD_factor
() const
colvarproxy_system
inline
virtual
get_alch_lambda
(cvm::real *lambda)
colvarproxy_system
virtual
get_d2E_dlambda2
(cvm::real *d2E_dlambda2)
colvarproxy_system
virtual
get_dE_dlambda
(cvm::real *dE_dlambda)
colvarproxy_system
virtual
get_molid
(int &molid)
colvarproxy_system
virtual
indirect_lambda_biasing_force
colvarproxy_system
internal_to_angstrom
(cvm::real l) const
colvarproxy_system
inline
kcal_mol_value_
colvarproxy_system
protected
position_distance
(cvm::atom_pos const &pos1, cvm::atom_pos const &pos2) const
colvarproxy_system
virtual
rand_gaussian
(void)
colvarproxy_system
virtual
reciprocal_cell_x
colvarproxy_system
protected
reciprocal_cell_y
(defined in
colvarproxy_system
)
colvarproxy_system
protected
reciprocal_cell_z
(defined in
colvarproxy_system
)
colvarproxy_system
protected
request_total_force
(bool yesno)
colvarproxy_system
virtual
reset_pbc_lattice
()
colvarproxy_system
send_alch_lambda
()
colvarproxy_system
virtual
set_alch_lambda
(cvm::real lambda)
colvarproxy_system
set_integration_timestep
(cvm::real dt)
colvarproxy_system
virtual
set_target_temperature
(cvm::real T)
colvarproxy_system
virtual
set_unit_system
(std::string const &units, bool check_only)
colvarproxy_system
virtual
target_temperature
() const
colvarproxy_system
inline
target_temperature_
colvarproxy_system
protected
timestep_
colvarproxy_system
protected
total_force_requested
colvarproxy_system
protected
total_forces_enabled
() const
colvarproxy_system
virtual
total_forces_same_step
() const
colvarproxy_system
virtual
unit_cell_x
colvarproxy_system
protected
unit_cell_y
(defined in
colvarproxy_system
)
colvarproxy_system
protected
unit_cell_z
(defined in
colvarproxy_system
)
colvarproxy_system
protected
units
colvarproxy_system
update_pbc_lattice
()
colvarproxy_system
~colvarproxy_system
()
colvarproxy_system
virtual
Generated on Fri Dec 6 2024 23:09:09 for Collective Variables Module - Developer Documentation by
1.9.5