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void | dumpExcitations (const Everything &e, const char *filename) |
| | Dump information about excitation energies and matrix elements.
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void | Moments::rn_pow_x (int i, vector3<> r, int dir, matrix3<> R, double moment, vector3<> r0, double *rx) |
| | set multipole spatial weights
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void | Moments::dumpMoment (const Everything &e, const char *filename, int n, vector3<> origin) |
| | output multipole moments
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ScalarFieldArray | XC_Analysis::tauWeizsacker (const Everything &e) |
| | Output Weizsacker KE density.
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ScalarFieldArray | XC_Analysis::spness (const Everything &e) |
| | Output 'single-particle-ness'.
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ScalarFieldArray | XC_Analysis::sHartree (const Everything &e) |
| | output spin Hartree potentials
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Implementation internals for output modules