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// Dipoles are given in units of Debye |
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// Quadrupoles are given in units of |
65 |
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// examples: |
66 |
< |
// name d theta phi psi dipole_moment |
67 |
< |
// name s theta phi psi dipole_moment splitdipole_distance |
68 |
< |
// name q theta phi psi Qxx Qyy Qzz |
69 |
< |
// name dq theta phi psi dipole_moment Qxx Qyy Qzz |
70 |
< |
// name sq theta phi psi dipole_moment splitdipole_distance Qxx Qyy Qzz |
66 |
> |
// name d phi theta psi dipole_moment |
67 |
> |
// name s phi theta psi dipole_moment splitdipole_distance |
68 |
> |
// name q phi theta psi Qxx Qyy Qzz |
69 |
> |
// name dq phi theta psi dipole_moment Qxx Qyy Qzz |
70 |
> |
// name sq phi theta psi dipole_moment splitdipole_distance Qxx Qyy Qzz |
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|
72 |
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if (nTokens < 5) { |
73 |
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sprintf(painCave.errMsg, "MultipoleAtomTypesSectionParser Error: Not enough tokens at line %d\n", |