Contracted Gaussian type basis function.
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integer | ang = -1 |
| | Angular momentum of this basis function.
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integer | nprim = 0 |
| | Contraction length of this basis function.
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real(wp), dimension(maxg) | alpha = 0.0_wp |
| | Exponent of the primitive Gaussian functions.
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real(wp), dimension(maxg) | coeff = 0.0_wp |
| | Contraction coefficients of the primitive Gaussian functions, might contain normalization.
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Contracted Gaussian type basis function.
The documentation for this type was generated from the following file:
- /home/runner/work/tblite/tblite/src/tblite/basis/type.f90
