Uses of Class
ffx.openmm.DoubleArray

Packages that use DoubleArray

Package	Description
ffx.openmm	The OpenMM package includes Java classes that are analogues of the OpenMM C++ API.
ffx.openmm.amoeba	The AMOEBA package includes Java classes that are analogues of the OpenMM C++ API for the AMOEBA model.

Uses of DoubleArray in ffx.openmm

Methods in ffx.openmm with parameters of type DoubleArray

Modifier and Type	Method	Description
int	CustomAngleForce.addAngle(int i1, int i2, int i3, DoubleArray parameters)	Add an angle term to the force field.
int	CustomBondForce.addBond(int i1, int i2, DoubleArray parameters)	Add a bond term to the force field.
int	CustomCentroidBondForce.addBond(IntArray groups, DoubleArray parameters)	Add a bond to the force
int	CustomCompoundBondForce.addBond(IntArray particles, DoubleArray parameters)	Add a bond to the force.
int	CustomCentroidBondForce.addGroup(IntArray particles, DoubleArray weights)	Add a particle group.
int	CustomExternalForce.addParticle(int index, DoubleArray particleParameters)	Add a particle to the force.
int	CustomGBForce.addParticle(DoubleArray particleParameters)	Add a particle to the force.
int	CustomNonbondedForce.addParticle(DoubleArray parameters)	Add a particle to the force.
void	CustomAngleForce.getAngleParameters(int index, com.sun.jna.ptr.IntByReference i1, com.sun.jna.ptr.IntByReference i2, com.sun.jna.ptr.IntByReference i3, DoubleArray parameters)	Get the force field parameters for an angle term.
void	CustomAngleForce.getAngleParameters(int index, IntBuffer i1, IntBuffer i2, IntBuffer i3, DoubleArray parameters)	Get the force field parameters for an angle term.
void	CustomBondForce.getBondParameters(int index, com.sun.jna.ptr.IntByReference i1, com.sun.jna.ptr.IntByReference i2, DoubleArray parameters)	Get the force field parameters for a bond term.
void	CustomBondForce.getBondParameters(int index, IntBuffer i1, IntBuffer i2, DoubleArray parameters)	Get the force field parameters for a bond term.
void	CustomCentroidBondForce.getBondParameters(int index, IntArray groups, DoubleArray parameters)	Get the properties of a bond.
void	CustomCompoundBondForce.getBondParameters(int index, IntArray particles, DoubleArray parameters)	Get the parameters for a bond.
void	CustomCentroidBondForce.getGroupParameters(int index, IntArray particles, DoubleArray weights)	Get the properties of a group.
void	CustomExternalForce.getParticleParameters(int index, com.sun.jna.ptr.IntByReference particle, DoubleArray particleParameters)	Get the parameters for a particle.
void	CustomExternalForce.getParticleParameters(int index, IntBuffer particle, DoubleArray particleParameters)	Get the parameters for a particle.
void	CustomGBForce.getParticleParameters(int index, DoubleArray particleParameters)	Get the parameters for a particle.
void	CustomAngleForce.setAngleParameters(int index, int i1, int i2, int i3, DoubleArray parameters)	Set the parameters for one angle in the OpenMM System.
void	CustomBondForce.setBondParameters(int index, int i1, int i2, DoubleArray parameters)	Set the parameters for one bond in the OpenMM System.
void	CustomCentroidBondForce.setBondParameters(int index, IntArray groups, DoubleArray parameters)	Set the properties of a bond.
void	CustomCompoundBondForce.setBondParameters(int index, IntArray particles, DoubleArray parameters)	Set the parameters for a bond.
void	CustomCentroidBondForce.setGroupParameters(int index, IntArray particles, DoubleArray weights)	Set the properties of a group.
void	CustomExternalForce.setParticleParameters(int index, int particle, DoubleArray particleParameters)	Set the parameters for a particle.
void	CustomGBForce.setParticleParameters(int index, DoubleArray particleParameters)	Set the parameters for a particle.

Uses of DoubleArray in ffx.openmm.amoeba

Methods in ffx.openmm.amoeba that return DoubleArray

Modifier and Type	Method	Description
DoubleArray	MultipoleForce.getElectrostaticPotential(Context context, DoubleArray points)	Get the electrostatic potential at specified points.

Methods in ffx.openmm.amoeba with parameters of type DoubleArray

Modifier and Type	Method	Description
int	MultipoleForce.addMultipole(double charge, DoubleArray molecularDipole, DoubleArray molecularQuadrupole, int axisType, int multipoleAtomZ, int multipoleAtomX, int multipoleAtomY, double thole, double dampingFactor, double polarity)	Add multipole-related info for a particle
DoubleArray	MultipoleForce.getElectrostaticPotential(Context context, DoubleArray points)	Get the electrostatic potential at specified points.
void	MultipoleForce.getInducedDipoles(Context context, DoubleArray inducedDipoles)	Get the induced dipoles.
void	MultipoleForce.getLabFramePermanentDipoles(Context context, DoubleArray dipoles)	Get the lab frame permanent dipoles.
void	MultipoleForce.getSystemMultipoleMoments(Context context, DoubleArray moments)	Get the system multipole moments.
void	MultipoleForce.getTotalDipoles(Context context, DoubleArray dipoles)	Get the total dipoles.
void	DoubleArray3D.set(int d1, int d2, DoubleArray value)	Set the value of the array at the given index.
void	MultipoleForce.setExtrapolationCoefficients(DoubleArray exptCoefficients)	Set extrapolation coefficients.
void	MultipoleForce.setMultipoleParameters(int index, double charge, DoubleArray molecularDipole, DoubleArray molecularQuadrupole, int axisType, int multipoleAtomZ, int multipoleAtomX, int multipoleAtomY, double thole, double dampingFactor, double polarity)	Set the multipole parameters for a particle.