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Update memory infrastructure for nq_util. 3 of 3 checklist items completed!476
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- 1
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Update QCMaquis to release 3.1.x 3 of 3 checklist items completed!477
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- 4
- Approved
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Purging of grid points with low weights. 3 of 3 checklist items completed!475
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Fix NEVPT2Prep keyword with ITER=0,0 in DMRGSCF 3 of 3 checklist items completed!418
- Merged
- 4
- Approved
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Resolve "MPSSI with MCPDFT dressed diagonal" 3 of 3 checklist items completed!466
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- 25
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added query for file existence 3 of 3 checklist items completed!471
- Merged
- 23
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adding a note in MC-PDFT result printing 3 of 3 checklist items completed!472
- Merged
- 1
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Fix bonds and isotopic substitution for dummy atoms 2 of 3 checklist items completed!469
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- Approved
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increased the possible length of the FileOrb string 3 of 3 checklist items completed!468
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- Approved
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Update for MolGUI 3 of 3 checklist items completed!467
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- 1
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Orbital rotation tool 3 of 3 checklist items completed!464
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- Approved
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fixing small bugs regarding CMS-PDFT and the gradients 3 of 3 checklist items completed!463
- Merged
- 1
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CMS-PDFT analytical gradient 3 of 3 checklist items completed!460
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- 5
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Rhodyn program for density matrix propagation 2 of 3 checklist items completed!461
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spin-orbit natural transition orbitals 3 of 3 checklist items completed!459
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- 7
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Update external lapack to 3.10.0 release 3 of 3 checklist items completed!458
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More code modernization 3 of 3 checklist items completed!457
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CMS intermediate state generation optimized 3 of 3 checklist items completed!456
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- Approved
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CMSNumGrad 3 of 3 checklist items completed!455
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- 5
- Approved
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Properly remove requested properties that have no integrals in RASSI 3 of 3 checklist items completed!454
- Merged
- Approved
updated