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Added test file for G4 parsing docs push #64: Commit d36288e pushed by oliver-s-lee
September 24, 2023 18:17 3m 10s master
master
September 24, 2023 18:17 3m 10s
Added test file for G4 parsing run tests and coverage #73: Commit d36288e pushed by oliver-s-lee
September 24, 2023 18:17 19m 53s master
master
September 24, 2023 18:17 19m 53s
Added test file for G4 parsing run tests and coverage #72: Commit 1d46d5f pushed by oliver-s-lee
September 24, 2023 18:09 20m 44s master
master
September 24, 2023 18:09 20m 44s
Added test file for G4 parsing docs push #63: Commit 1d46d5f pushed by oliver-s-lee
September 24, 2023 18:09 2m 48s master
master
September 24, 2023 18:09 2m 48s
Fixed parsing of Wiberg bond order; stored bond orders as dict of set… docs push #62: Commit c8b2232 pushed by oliver-s-lee
September 24, 2023 17:27 3m 10s master
master
September 24, 2023 17:27 3m 10s
Fixed parsing of Wiberg bond order; stored bond orders as dict of set… run tests and coverage #71: Commit c8b2232 pushed by oliver-s-lee
September 24, 2023 17:27 16m 40s master
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September 24, 2023 17:27 16m 40s
Update cclib/parser/gaussianparser.py docs push #61: Commit 818569f pushed by oliver-s-lee
September 24, 2023 16:53 3m 1s master
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September 24, 2023 16:53 3m 1s
Update cclib/parser/gaussianparser.py run tests and coverage #70: Commit 818569f pushed by oliver-s-lee
September 24, 2023 16:53 19m 54s master
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September 24, 2023 16:53 19m 54s
Fixed errors with not recognising DFT grid docs push #60: Commit 79b6542 pushed by oliver-s-lee
September 22, 2023 11:05 2m 27s master
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September 22, 2023 11:05 2m 27s
Fixed errors with not recognising DFT grid run tests and coverage #69: Commit 79b6542 pushed by oliver-s-lee
September 22, 2023 11:05 16m 59s master
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September 22, 2023 11:05 16m 59s
Removed unused molecular_mass docs push #59: Commit b9d0dd5 pushed by oliver-s-lee
September 22, 2023 10:40 2m 54s master
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September 22, 2023 10:40 2m 54s
Removed unused molecular_mass run tests and coverage #68: Commit b9d0dd5 pushed by oliver-s-lee
September 22, 2023 10:40 8m 50s master
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September 22, 2023 10:40 8m 50s
Renamed freqdone to freqconv run tests and coverage #67: Commit f50f058 pushed by oliver-s-lee
September 22, 2023 10:38 2m 41s master
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September 22, 2023 10:38 2m 41s
Renamed freqdone to freqconv docs push #58: Commit f50f058 pushed by oliver-s-lee
September 22, 2023 10:38 3m 9s master
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September 22, 2023 10:38 3m 9s
Updated parsing of S^2 to use new spinsquared attribute docs push #57: Commit 3c7df77 pushed by oliver-s-lee
September 22, 2023 10:30 2m 32s master
master
September 22, 2023 10:30 2m 32s
Updated parsing of S^2 to use new spinsquared attribute run tests and coverage #66: Commit 3c7df77 pushed by oliver-s-lee
September 22, 2023 10:30 3m 14s master
master
September 22, 2023 10:30 3m 14s
Update cclib/parser/data.py run tests and coverage #65: Commit 4a2dcfa pushed by oliver-s-lee
September 22, 2023 10:11 3m 24s master
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September 22, 2023 10:11 3m 24s
Update cclib/parser/data.py docs push #56: Commit 4a2dcfa pushed by oliver-s-lee
September 22, 2023 10:11 2m 31s master
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September 22, 2023 10:11 2m 31s
Switched ONIOM energy to use new compenergies attribute run tests and coverage #64: Commit 97a24b3 pushed by oliver-s-lee
September 22, 2023 10:04 2m 52s master
master
September 22, 2023 10:04 2m 52s
Switched ONIOM energy to use new compenergies attribute docs push #55: Commit 97a24b3 pushed by oliver-s-lee
September 22, 2023 10:04 3m 18s master
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September 22, 2023 10:04 3m 18s
Update cclib/parser/gaussianparser.py docs push #54: Commit 0ab9361 pushed by jvalegre
September 13, 2023 09:20 2m 33s master
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September 13, 2023 09:20 2m 33s
Update cclib/parser/gaussianparser.py run tests and coverage #63: Commit 0ab9361 pushed by jvalegre
September 13, 2023 09:20 2m 44s master
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September 13, 2023 09:20 2m 44s
Removed comment line about converting rotconsts to wavenumbers becaus… docs push #53: Commit 32daa1f pushed by oliver-s-lee
September 13, 2023 09:11 3m 7s master
master
September 13, 2023 09:11 3m 7s
Removed comment line about converting rotconsts to wavenumbers becaus… run tests and coverage #62: Commit 32daa1f pushed by oliver-s-lee
September 13, 2023 09:11 3m 10s master
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September 13, 2023 09:11 3m 10s
Modified fix for #1270 docs push #52: Commit 396d245 pushed by oliver-s-lee
September 13, 2023 09:08 2m 32s master
master
September 13, 2023 09:08 2m 32s