GeometricRestraintForce< AT, CT > Member List

This is the complete list of members for GeometricRestraintForce< AT, CT >, including all inherited members.

Activation enum name	GeometricRestraintForce< AT, CT >
addCylinder(const AtomSelection &selection, const std::array< double, 3 > &origin, const std::array< double, 3 > &direction, const double forceConstant, const double offset=0.0, const Activation activation=Activation::INSIDE, const SelectionMode selectionMode=SelectionMode::ATOMWISE)	GeometricRestraintForce< AT, CT >
addCylinder(const AtomReference &atom, const std::array< double, 3 > &origin, const std::array< double, 3 > &direction, const double forceConstant, const double offset=0.0, const Activation activation=Activation::INSIDE, const SelectionMode selectionMode=SelectionMode::ATOMWISE)	GeometricRestraintForce< AT, CT >
addPlane(const AtomSelection &selection, const std::array< double, 3 > &origin, const std::array< double, 3 > &direction, const double forceConstant, const double offset=0.0, const Activation activation=Activation::INSIDE, const SelectionMode selectionMode=SelectionMode::ATOMWISE)	GeometricRestraintForce< AT, CT >
addPlane(const AtomReference &atom, const std::array< double, 3 > &origin, const std::array< double, 3 > &direction, const double forceConstant, const double offset=0.0, const Activation activation=Activation::INSIDE, const SelectionMode selectionMode=SelectionMode::ATOMWISE)	GeometricRestraintForce< AT, CT >
addSphere(const AtomSelection &selection, const std::array< double, 3 > &center, const double forceConstant, const double offset=0.0, const Activation activation=Activation::INSIDE, const SelectionMode selectionMode=SelectionMode::ATOMWISE)	GeometricRestraintForce< AT, CT >
addSphere(const AtomReference &atom, const std::array< double, 3 > &center, const double forceConstant, const double offset=0.0, const Activation activation=Activation::INSIDE, const SelectionMode selectionMode=SelectionMode::ATOMWISE)	GeometricRestraintForce< AT, CT >
calcForce(const float4 *xyzq, const bool calcEnergy, const bool calcVirial)	GeometricRestraintForce< AT, CT >
clear(void)	GeometricRestraintForce< AT, CT >
clear(const bool calcEnergy, const bool calcVirial)	GeometricRestraintForce< AT, CT >
computesVirial	GeometricRestraintForce< AT, CT >	static
contributesVirial	GeometricRestraintForce< AT, CT >	static
GeometricRestraintForce(void)=delete	GeometricRestraintForce< AT, CT >
GeometricRestraintForce(const std::shared_ptr< const CharmmPSF > &psf)	GeometricRestraintForce< AT, CT >	explicit
GeometricRestraintForce(const GeometricRestraintForce &other)=delete	GeometricRestraintForce< AT, CT >
GeometricRestraintForce(GeometricRestraintForce &&other)=delete	GeometricRestraintForce< AT, CT >
Geometry enum name	GeometricRestraintForce< AT, CT >
getEnergyVirial(void)	GeometricRestraintForce< AT, CT >
getForce(void)	GeometricRestraintForce< AT, CT >
getMasses(void) const noexcept	GeometricRestraintForce< AT, CT >
getNumAtoms(void) const noexcept	GeometricRestraintForce< AT, CT >
getNumTerms(void) const noexcept	GeometricRestraintForce< AT, CT >
getStream(void)	GeometricRestraintForce< AT, CT >
initialize(const int numAtoms, const std::vector< double > &boxDimensions)	GeometricRestraintForce< AT, CT >
operator=(const GeometricRestraintForce &other)=delete	GeometricRestraintForce< AT, CT >
operator=(GeometricRestraintForce &&other)=delete	GeometricRestraintForce< AT, CT >
PotentialType enum name	GeometricRestraintForce< AT, CT >
reset(void)	GeometricRestraintForce< AT, CT >
SelectionMode enum name	GeometricRestraintForce< AT, CT >
setBoxDimensions(const std::vector< double > &boxDimensions)	GeometricRestraintForce< AT, CT >
setMasses(const std::vector< double > &masses)	GeometricRestraintForce< AT, CT >
supportsPBC(const PBC pbc) const noexcept	GeometricRestraintForce< AT, CT >
~GeometricRestraintForce(void) noexcept	GeometricRestraintForce< AT, CT >