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Fix AO_MLTPL_* in HDF5 files 3 of 3 checklist items completed!453
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- 5
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A bug fixed in MC-PDFT 3 of 3 checklist items completed!452
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- 2
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updated documentation for WFA 3 of 3 checklist items completed!451
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Enable interprocedural optimization 3 of 3 checklist items completed!450
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VIBROT input parsing 3 of 3 checklist items completed!449
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- 1
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update QCMaquis version from 3.0.4 to 3.0.6. 3 of 3 checklist items completed!448
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- 1
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New "add" mode to FALSE module 3 of 3 checklist items completed!446
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More code modernization 3 of 3 checklist items completed!445
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Update to aniso codes 3 of 3 checklist items completed!444
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- 8
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More code modernization 3 of 3 checklist items completed!442
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BFGS procedure modified. 3 of 3 checklist items completed!441
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- 1
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Updated dynamixtools.py to include a thermal normal mode sampling procedure... 3 of 3 checklist items completed!437
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- 5
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Scf update 3 of 3 checklist items completed!438
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- 6
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Update Gen1Int version 3 of 3 checklist items completed!436
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More code modernization 3 of 3 checklist items completed!435
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Fix NTO calculations only working for <10 states 3 of 3 checklist items completed!414
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- 5
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XDW-CASPT2 and RMS-CASPT2 implementations 3 of 3 checklist items completed!388
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- 14
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Explicitly avoid non-valence shells. 3 of 3 checklist items completed!434
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- 11
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Missing k dot P factor included 3 of 3 checklist items completed!433
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Fix Intel17 compiler error 3 of 3 checklist items completed!432
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- 1
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updated