features
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features [2024/02/21 14:55] – tsaue | features [2024/02/21 14:57] – tsaue | ||
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* Update of DIRAC schema which defines the information stored on CHECKPOINT.h5. | * Update of DIRAC schema which defines the information stored on CHECKPOINT.h5. | ||
* Essential symmetry information added. | * Essential symmetry information added. | ||
- | * MO coefficients for C: | + | * MO coefficients for C< |
* Occupation of spinors in SCF added. | * Occupation of spinors in SCF added. | ||
* Non-default property integrals stored on separate file to reduce the size of the checkpoint file. | * Non-default property integrals stored on separate file to reduce the size of the checkpoint file. |
features.txt · Last modified: 2024/02/21 16:21 by aspg