Collective Variables Module - Developer Documentation
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colvarmodule
rotation
colvarmodule::rotation Member List
This is the complete list of members for
colvarmodule::rotation
, including all inherited members.
b_debug_gradients
colvarmodule::rotation
build_correlation_matrix
(std::vector< cvm::atom_pos > const &pos1, std::vector< cvm::atom_pos > const &pos2)
colvarmodule::rotation
protected
build_correlation_matrix
(std::vector< cvm::atom > const &pos1, std::vector< cvm::atom_pos > const &pos2) (defined in
colvarmodule::rotation
)
colvarmodule::rotation
protected
C
colvarmodule::rotation
private
calc_optimal_rotation
(std::vector< atom_pos > const &pos1, std::vector< atom_pos > const &pos2)
colvarmodule::rotation
calc_optimal_rotation
(std::vector< cvm::atom > const &pos1, std::vector< atom_pos > const &pos2) (defined in
colvarmodule::rotation
)
colvarmodule::rotation
calc_optimal_rotation_impl
()
colvarmodule::rotation
protected
compute_overlap_matrix
()
colvarmodule::rotation
protected
cos_theta
(cvm::rvector const &axis) const
colvarmodule::rotation
inline
crossing_threshold
colvarmodule::rotation
static
dcos_theta_dq
(cvm::rvector const &axis) const
colvarmodule::rotation
inline
debug_gradients
colvarmodule::rotation
friend
dspin_angle_dq
(cvm::rvector const &axis) const
colvarmodule::rotation
inline
init
()
colvarmodule::rotation
inverse
() const
colvarmodule::rotation
inline
jacobi
colvarmodule::rotation
protected
matrix
() const
colvarmodule::rotation
inline
monitor_crossings
colvarmodule::rotation
static
q
colvarmodule::rotation
q_old
colvarmodule::rotation
protected
rotate
(cvm::rvector const &v) const
colvarmodule::rotation
inline
rotation
()
colvarmodule::rotation
rotation
(cvm::quaternion const &qi)
colvarmodule::rotation
rotation
(cvm::real angle, cvm::rvector const &axis)
colvarmodule::rotation
rotation_derivative
(defined in
colvarmodule::rotation
)
colvarmodule::rotation
friend
S
colvarmodule::rotation
private
S_backup
colvarmodule::rotation
private
S_eigval
colvarmodule::rotation
private
S_eigvec
colvarmodule::rotation
private
spin_angle
(cvm::rvector const &axis) const
colvarmodule::rotation
inline
~rotation
()
colvarmodule::rotation
Generated on Fri Oct 11 2024 21:58:53 for Collective Variables Module - Developer Documentation by
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