Uses of Class
ffx.openmm.DoubleArray
-
Uses of DoubleArray in ffx.openmm
Modifier and TypeMethodDescriptionvoid
CustomAngleForce.addAngle
(int i1, int i2, int i3, DoubleArray parameters) Add an angle force to the OpenMM System.void
CentroidBondForce.addBond
(IntArray groups, DoubleArray parameters) Add a bond between two groups to the force.void
CustomBondForce.addBond
(int i1, int i2, DoubleArray parameters) Add a bond to the OpenMM System.void
CustomCompoundBondForce.addBond
(IntArray particles, DoubleArray parameters) Add a Custom Compound Bond to the OpenMM System.void
CentroidBondForce.addGroup
(IntArray atoms, DoubleArray weight) Add a atoms of atoms to the force.void
CustomExternalForce.addParticle
(int index, DoubleArray particleParameters) Add a particle to the force.void
CustomGBForce.addParticle
(DoubleArray particleParameters) Add a particle to the force.void
CustomNonbondedForce.addParticle
(DoubleArray parameters) Add a particle to the force.void
DoubleArray3D.set
(int d1, int d2, DoubleArray value) Set the value of the array at the given index.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
CustomCompoundBondForce.setBondParameters
(int index, IntArray particles, DoubleArray parameters) Set the parameters for a Custom Compound Bond.void
CustomGBForce.setParticleParameters
(int index, DoubleArray particleParameters) Set the particle parameters. -
Uses of DoubleArray in ffx.openmm.amoeba
Modifier and TypeMethodDescriptionvoid
MultipoleForce.addMultipole
(double charge, DoubleArray dipole, DoubleArray quadrupole, int axisType, int zaxis, int xaxis, int yaxis, double thole, double pdamp, double polarizability) Add a multipole.void
MultipoleForce.setExtrapolationCoefficients
(DoubleArray exptCoefficients) Set extrapolation coefficients.void
MultipoleForce.setMultipoleParameters
(int index, double charge, DoubleArray dipoles, DoubleArray quadrupoles, int axisType, int zaxis, int xaxis, int yaxis, double thole, double pdamp, double polarizability) Set the multipole parameters.