MADNESS
0.10.1
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Classes | |
class | MolecularMaskBase |
class | MolecularSurface |
class | MolecularVolumeComplementMask |
class | MolecularVolumeExponentialSwitch |
Switches between positive values Vint and Vext with special log derivative. More... | |
class | MolecularVolumeExponentialSwitchLogGrad |
Returns the requested component of the derivative of the log of MolecularVolumeExponentialSwitch. More... | |
class | MolecularVolumeExponentialSwitchReciprocal |
Computes the reciprocal of MolecularVolumeExponentialSwitch. More... | |
class | MolecularVolumeMask |
class | MolecularVolumeMaskGrad |
Functions | |
double | distance (const madness::coord_3d &a, const madness::coord_3d &b) |
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inline |