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Create chemical record from SMILES using rdkit Test #522: Pull request #191 synchronize by prehner
October 11, 2023 08:43 5m 38s fragmentation_chemical_record
fragmentation_chemical_record
October 11, 2023 08:43 5m 38s
Create chemical record from SMILES using rdkit Test #521: Pull request #191 synchronize by prehner
October 11, 2023 08:32 5m 20s fragmentation_chemical_record
fragmentation_chemical_record
October 11, 2023 08:32 5m 20s
Create chemical record from SMILES using rdkit Test #520: Pull request #191 opened by prehner
October 10, 2023 15:28 5m 47s fragmentation_chemical_record
fragmentation_chemical_record
October 10, 2023 15:28 5m 47s
Added parameter file from Esper et al (#190) Test #519: Commit 5a8b844 pushed by g-bauer
October 6, 2023 11:22 5m 35s main
main
October 6, 2023 11:22 5m 35s
Added parameter file from Esper et al Test #518: Pull request #190 synchronize by g-bauer
October 6, 2023 11:13 5m 28s esper_parameter
esper_parameter
October 6, 2023 11:13 5m 28s
Added parameter file from Esper et al Test #517: Pull request #190 opened by g-bauer
October 5, 2023 09:41 5m 36s esper_parameter
esper_parameter
October 5, 2023 09:41 5m 36s
Go back to eigenvalue calculation in num_dual (#189) Test #516: Commit 7e57141 pushed by prehner
September 23, 2023 14:54 5m 20s main
main
September 23, 2023 14:54 5m 20s
Go back to eigenvalue calculation in num_dual Test #515: Pull request #189 opened by prehner
September 20, 2023 16:05 6m 45s eigenvalues_num_dual
eigenvalues_num_dual
September 20, 2023 16:05 6m 45s
Use rdkit from Rust to fragment SMILES Test #514: Pull request #188 synchronize by prehner
September 15, 2023 06:02 6m 33s fragmentation
fragmentation
September 15, 2023 06:02 6m 33s
Use rdkit from Rust to fragment SMILES Test #513: Pull request #188 opened by prehner
September 15, 2023 05:32 5m 59s fragmentation
fragmentation
September 15, 2023 05:32 5m 59s
Release v0.5.0 Test #512: Pull request #178 synchronize by prehner
September 4, 2023 15:31 6m 27s v0.5.0
v0.5.0
September 4, 2023 15:31 6m 27s
Make f64 the default inner type for all quantities (#186) Test #511: Commit 5c18ef0 pushed by prehner
September 4, 2023 15:09 6m 16s main
main
September 4, 2023 15:09 6m 16s
Make f64 the default inner type for all quantities Test #510: Pull request #186 synchronize by prehner
September 4, 2023 13:44 3m 23s default_type_quantity
default_type_quantity
September 4, 2023 13:44 3m 23s
Non orthogonal dft (#176) Test #509: Commit 48ac358 pushed by prehner
September 4, 2023 13:37 6m 23s main
main
September 4, 2023 13:37 6m 23s
Non orthogonal dft Test #508: Pull request #176 synchronize by prehner
September 4, 2023 11:29 6m 36s non_orthogonal_dft
non_orthogonal_dft
September 4, 2023 11:29 6m 36s
Non orthogonal dft Test #507: Pull request #176 synchronize by prehner
September 4, 2023 10:58 6m 22s non_orthogonal_dft
non_orthogonal_dft
September 4, 2023 10:58 6m 22s
Non orthogonal dft Test #506: Pull request #176 synchronize by prehner
September 4, 2023 08:02 6m 33s non_orthogonal_dft
non_orthogonal_dft
September 4, 2023 08:02 6m 33s
Release v0.5.0 Test #505: Pull request #178 synchronize by prehner
August 31, 2023 11:45 6m 24s v0.5.0
v0.5.0
August 31, 2023 11:45 6m 24s
Release v0.5.0 Test #504: Pull request #178 synchronize by prehner
August 29, 2023 12:53 5m 29s v0.5.0
v0.5.0
August 29, 2023 12:53 5m 29s
Release v0.5.0 Test #503: Pull request #178 synchronize by prehner
August 23, 2023 11:44 5m 44s v0.5.0
v0.5.0
August 23, 2023 11:44 5m 44s
Fix FromSegmentsBinary for Joback (#182) Test #502: Commit 4b3a0e5 pushed by prehner
August 22, 2023 11:38 7m 11s main
main
August 22, 2023 11:38 7m 11s
Fix FromSegmentsBinary for Joback Test #501: Pull request #182 opened by prehner
August 22, 2023 11:35 5m 18s fix_binary_joback
fix_binary_joback
August 22, 2023 11:35 5m 18s
Release v0.5.0 Test #500: Pull request #178 synchronize by prehner
August 22, 2023 11:31 6m 17s v0.5.0
v0.5.0
August 22, 2023 11:31 6m 17s