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Printout of spin matrices in parsable format in RASSI 3 of 3 checklist items completed!91
- Merged
- 1
- Approved
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write SOC dipole moment operator to .h5 file 3 of 3 checklist items completed!87
- Merged
- 10
- Approved
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Fix output for rotatory strength (CD). 3 of 3 checklist items completed!93
- Merged
- 1
- Approved
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Fix generation of molden files for Dyson orbitals 3 of 3 checklist items completed!95
- Merged
- Approved
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Initial condition 3 of 3 checklist items completed!96
- Merged
- 1
- Approved
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Add code for sagit support 3 of 3 checklist items completed!98
- Merged
- 2
- Approved
updated -
Dev/veryazov 2 of 3 checklist items completed!56
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- 12
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Inporb version selection 3 of 3 checklist items completed!99
- Merged
- Approved
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Some minor fixes 3 of 3 checklist items completed!100
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- Approved
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StochCAS documentation 3 of 3 checklist items completed!97
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- 1
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fix QCMaquis driver installation if MPI=ON. 3 of 3 checklist items completed!101
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- 2
- Approved
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Fix mcpdft calculations with MPS reference wave function 3 of 3 checklist items completed!103
- Merged
- 1
- Approved
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Transition density printout to HDF5 file 3 of 3 checklist items completed!102
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- 12
- Approved
updated -
Cleaned up memory allocations - deallocated 3 of 3 checklist items completed!106
- Merged
- 1
- Approved
updated