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Fix some issues with DFT grids and derivatives 3 of 3 checklist items completed!678
- Merged
- Approved
updated -
Small fixes for RASSI and mort 3 of 3 checklist items completed!677
- Merged
- Approved
updated -
corrected parameters OCA 3 of 3 checklist items completed!611
- Merged
- Approved
updated -
apply a threshold on prwf_biorth.F90 3 of 3 checklist items completed!608
- Merged
- Approved
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Fix bug in SS gradients after SA gradients 3 of 3 checklist items completed!607
- Merged
- Approved
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Dynamixtools.py rotation fix 3 of 3 checklist items completed!547
- Merged
- 2
- Approved
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Fix use of random colors 3 of 3 checklist items completed!520
- Merged
- Approved
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tOPBE and ftOPBE are debugged 3 of 3 checklist items completed!275
- Merged
- 1
- Approved
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cleaning up explanation of the XROH keyword in the manual 3 of 3 checklist items completed!249
- Merged
- 1
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Use actual array as buffer. May fix #193 3 of 3 checklist items completed!241
- Merged
- 5
- Approved
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CASPT2 MPI bugfix 3 of 3 checklist items completed!244
- Merged
- 1
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Transition density printout to HDF5 file 3 of 3 checklist items completed!102
- Merged
- 12
- Approved
updated