OpenMD 3.0
Molecular Dynamics in the Open
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Public Member Functions | |
std::vector< RealSphericalHarmonic * > | getContactFuncs (void) |
std::vector< RealSphericalHarmonic * > | getRangeFuncs (void) |
std::vector< RealSphericalHarmonic * > | getStrengthFuncs (void) |
void | setContactFuncs (std::vector< RealSphericalHarmonic * > cf) |
void | setRangeFuncs (std::vector< RealSphericalHarmonic * > rf) |
void | setStrengthFuncs (std::vector< RealSphericalHarmonic * > sf) |
RealType | getContactValueAt (RealType costheta, RealType phi) |
Gets the value of the contact function at a particular orientation. | |
RealType | getRangeValueAt (RealType costheta, RealType phi) |
Gets the value of the range function at a particular orientation. | |
RealType | getStrengthValueAt (RealType costheta, RealType phi) |
Gets the value of the strength function at a particular orientation. | |
Definition at line 63 of file ShapeAtomType.hpp.
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inline |
Definition at line 65 of file ShapeAtomType.hpp.
OpenMD::ShapeAtomType::~ShapeAtomType | ( | ) |
Definition at line 49 of file ShapeAtomType.cpp.
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inline |
Definition at line 68 of file ShapeAtomType.hpp.
RealType OpenMD::ShapeAtomType::getContactValueAt | ( | RealType | costheta, |
RealType | phi ) |
Gets the value of the contact function at a particular orientation.
costheta | |
phi |
Definition at line 62 of file ShapeAtomType.cpp.
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inline |
Definition at line 71 of file ShapeAtomType.hpp.
RealType OpenMD::ShapeAtomType::getRangeValueAt | ( | RealType | costheta, |
RealType | phi ) |
Gets the value of the range function at a particular orientation.
costheta | |
phi |
Definition at line 75 of file ShapeAtomType.cpp.
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inline |
Definition at line 74 of file ShapeAtomType.hpp.
RealType OpenMD::ShapeAtomType::getStrengthValueAt | ( | RealType | costheta, |
RealType | phi ) |
Gets the value of the strength function at a particular orientation.
costheta | |
phi |
Definition at line 88 of file ShapeAtomType.cpp.
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inline |
Definition at line 78 of file ShapeAtomType.hpp.
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inline |
Definition at line 81 of file ShapeAtomType.hpp.
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inline |
Definition at line 84 of file ShapeAtomType.hpp.