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AvogadroLibs
1.95.1
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This is the complete list of members for CrystalTools, including all inherited members.
| buildSupercell(Molecule &molecule, unsigned int a, unsigned int b, unsigned int c) | CrystalTools | static |
| fractionalCoordinates(const UnitCell &unitCell, const Array< Vector3 > &cart, Array< Vector3 > &frac) | CrystalTools | static |
| fractionalCoordinates(const Molecule &molecule, Array< Vector3 > &coords) | CrystalTools | static |
| isNiggliReduced(const Molecule &mol) | CrystalTools | static |
| niggliReduce(Molecule &molecule, Options opts=None) | CrystalTools | static |
| None enum value | CrystalTools | |
| Option enum name | CrystalTools | |
| Options typedef (defined in CrystalTools) | CrystalTools | |
| rotateToStandardOrientation(Molecule &molecule, Options opts=None) | CrystalTools | static |
| setCellMatrix(Molecule &molecule, const Matrix3 &newCellColMatrix, Options opt=None) | CrystalTools | static |
| setFractionalCoordinates(Molecule &molecule, const Array< Vector3 > &coords) | CrystalTools | static |
| setVolume(Molecule &molecule, Real newVolume, Options opts=None) | CrystalTools | static |
| TransformAtoms enum value | CrystalTools | |
| wrapAtomsToUnitCell(Molecule &molecule) | CrystalTools | static |
1.8.14