Constructor of FlexibleGASSpec_t
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | supergroups(:,:) |
The allowed supergroups. |
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| integer, | intent(in) | :: | spat_GAS_orbs(:) |
GAS space for the i-th spatial orbital. |
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| logical, | intent(in), | optional | :: | recoupling |
Exchange double excitations that recouple the spin are allowed |