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Check root exists in RASSI 3 of 3 checklist items completed!154
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Fix bug when reading with RdOne 3 of 3 checklist items completed!153
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Update CONTRIBUTORS.md 3 of 3 checklist items completed!152
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- 3
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Fix basis label parsing in GENANO 3 of 3 checklist items completed!151
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Increase length of basis set labels 3 of 3 checklist items completed!20
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Updated docker images 3 of 3 checklist items completed!149
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Update constants to CODATA 2018 values 3 of 3 checklist items completed!148
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Symmetry implementation of Dyson calculations 3 of 3 checklist items completed!146
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MAINT: Change neci keyword defaults 3 of 3 checklist items completed!145
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- 7
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Molcas-NECI interface + HDF5 FCIDUMP 3 of 3 checklist items completed!104
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- 135
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Fix compiling error (Block and CheMPS2) introduced by merge request !142 3 of 3 checklist items completed!144
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- 3
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RASSCF: Core-hole projection option 2 of 3 checklist items completed!143
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Cosmetic changes 3 of 3 checklist items completed!141
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Fix test 365 3 of 3 checklist items completed!140
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DEF2-TZVPP added for selected atoms. 3 of 3 checklist items completed!138
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- 12
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adding Co DEF2-SVP basis to molcas lib 3 of 3 checklist items completed!129
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- 6
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Minor fixes 3 of 3 checklist items completed!137
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Dev/veryazov 0 of 3 checklist items completed!135
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- 4
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Abort with more constraints than coordinates 3 of 3 checklist items completed!134
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Allow atom labels in Tinker interface 3 of 3 checklist items completed!133
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- 10
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updated