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add integration_thresh and weight_cutoff to NumericalIntegration
Testing with coveralls Report #175: Commit 42f4f38 pushed by EBB2675
November 20, 2024 10:42 1m 5s 130-atom-centered-basis-set
November 20, 2024 10:42 1m 5s
minor adjustments to Mesh and NumericalIntegration
Testing with coveralls Report #174: Commit cca109f pushed by EBB2675
November 19, 2024 16:27 1m 9s 130-atom-centered-basis-set
November 19, 2024 16:27 1m 9s
add Mesh, NumericalIntegration and MolecularHamiltonianSubTerms
Testing with coveralls Report #173: Commit 646430c pushed by EBB2675
November 19, 2024 16:11 1m 7s 130-atom-centered-basis-set
November 19, 2024 16:11 1m 7s
merge develop
Testing with coveralls Report #172: Commit 52d6b9a pushed by EBB2675
November 19, 2024 08:25 1m 16s 130-atom-centered-basis-set
November 19, 2024 08:25 1m 16s
Add first rewrite Fermi surface
Testing with coveralls Report #171: Commit 8dbfeee pushed by ndaelman-hu
November 18, 2024 16:23 1m 0s test_new_physical_props
November 18, 2024 16:23 1m 0s
Bump dependencies (#147)
Testing with coveralls Report #170: Commit 50154d5 pushed by JFRudzinski
November 18, 2024 14:53 1m 5s v0.3.1
November 18, 2024 14:53 1m 5s
Bump dependencies (#147)
Testing with coveralls Report #169: Commit 50154d5 pushed by JFRudzinski
November 18, 2024 14:28 1m 8s v0.2.1
November 18, 2024 14:28 1m 8s
Rewrite Energy
Testing with coveralls Report #168: Commit d355b4a pushed by ndaelman-hu
November 18, 2024 14:20 54s test_new_physical_props
November 18, 2024 14:20 54s
Add `ArchiveSection via diamond inheritance
Testing with coveralls Report #167: Commit 5ef5714 pushed by ndaelman-hu
November 18, 2024 13:57 56s test_new_physical_props
November 18, 2024 13:57 56s
- Rewrite band_structure.py
Testing with coveralls Report #166: Commit c318b7a pushed by ndaelman-hu
November 18, 2024 11:14 1m 2s test_new_physical_props
November 18, 2024 11:14 1m 2s
Bump dependencies (#147)
Testing with coveralls Report #165: Commit 50154d5 pushed by ndaelman-hu
November 18, 2024 10:06 1m 17s develop
November 18, 2024 10:06 1m 17s
Move out SpinChannel and MometumTransfer to variables.py
Testing with coveralls Report #164: Commit 8d1bf01 pushed by ndaelman-hu
November 17, 2024 23:19 59s test_new_physical_props
November 17, 2024 23:19 59s
Bump dependencies
Testing with coveralls Report #163: Commit a7e1ef2 pushed by ndaelman-hu
November 15, 2024 21:17 1m 7s bump_dependencies
November 15, 2024 21:17 1m 7s
Fix BaseForce._base_value
Testing with coveralls Report #161: Commit d9d6495 pushed by ndaelman-hu
November 12, 2024 19:17 1m 23s 143-physicalproperty-rank-checks-broken-2
November 12, 2024 19:17 1m 23s
Fixed wrong shape of bond_list in model_system
Testing with coveralls Report #160: Commit da38c46 pushed by Bernadette-Mohr
November 12, 2024 15:27 1m 2s cg-particle-support
November 12, 2024 15:27 1m 2s
Apply ruff
Testing with coveralls Report #159: Commit de12d9f pushed by ndaelman-hu
November 12, 2024 11:49 1m 8s 143-physicalproperty-rank-checks-broken-2
November 12, 2024 11:49 1m 8s
Fix writing of value
Testing with coveralls Report #158: Commit 512dee6 pushed by ndaelman-hu
November 12, 2024 10:50 1m 15s 143-physicalproperty-rank-checks-broken-2
November 12, 2024 10:50 1m 15s
Try different interface
Testing with coveralls Report #157: Commit d8239e6 pushed by ndaelman-hu
November 11, 2024 16:19 1m 14s 143-physicalproperty-rank-checks-broken-2
November 11, 2024 16:19 1m 14s
Fix shape mismatch of bond_list in model_system (#145)
Testing with coveralls Report #154: Commit a398c0a pushed by Bernadette-Mohr
November 4, 2024 09:37 1m 4s develop
November 4, 2024 09:37 1m 4s
Fix shape mismatch of bond_list in model_system
Testing with coveralls Report #153: Commit 7d7d08a pushed by Bernadette-Mohr
November 1, 2024 14:44 1m 14s fix-bond-list
November 1, 2024 14:44 1m 14s
move GTOIntegralDecomposition to NumericalSettings
Testing with coveralls Report #152: Commit 62de243 pushed by EBB2675
November 1, 2024 14:14 1m 17s test-branch
November 1, 2024 14:14 1m 17s
Fix shape mismatch of bond_list in model_system
Testing with coveralls Report #151: Commit 0dd2cee pushed by Bernadette-Mohr
November 1, 2024 13:59 1m 8s fix-bond-list
November 1, 2024 13:59 1m 8s