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add a placeholder MolecularOrbitalsState
Testing with coveralls Report #211: Commit 6f3e30b pushed by EBB2675
January 15, 2025 12:54 1m 11s qc-model-method-contributions
January 15, 2025 12:54 1m 11s
add a placeholder MolecularOrbitalsState
Installing and Testing #310: Commit 6f3e30b pushed by EBB2675
January 15, 2025 12:54 59s qc-model-method-contributions
January 15, 2025 12:54 59s
- Add PhysicalPropertyDecomposition to standardize contributions
Testing with coveralls Report #210: Commit 17cf3bb pushed by ndaelman-hu
January 14, 2025 20:33 1m 11s test_new_physical_props
January 14, 2025 20:33 1m 11s
- Add PhysicalPropertyDecomposition to standardize contributions
Installing and Testing #309: Commit 17cf3bb pushed by ndaelman-hu
January 14, 2025 20:33 58s test_new_physical_props
January 14, 2025 20:33 58s
enhance LocalCorrelation and CoupledCluster
Installing and Testing #308: Commit 95e319c pushed by EBB2675
January 14, 2025 10:24 1m 13s qc-model-method-contributions
January 14, 2025 10:24 1m 13s
enhance LocalCorrelation and CoupledCluster
Testing with coveralls Report #209: Commit 95e319c pushed by EBB2675
January 14, 2025 10:24 1m 16s qc-model-method-contributions
January 14, 2025 10:24 1m 16s
fix ROKS issue, minor modifications in model_method
Installing and Testing #307: Commit d90eac1 pushed by EBB2675
January 13, 2025 08:27 1m 17s qc-model-method-contributions
January 13, 2025 08:27 1m 17s
fix ROKS issue, minor modifications in model_method
Testing with coveralls Report #208: Commit d90eac1 pushed by EBB2675
January 13, 2025 08:27 1m 4s qc-model-method-contributions
January 13, 2025 08:27 1m 4s
errors to warnings
Installing and Testing #306: Commit b4df654 pushed by JFRudzinski
January 9, 2025 09:36 1m 2s cg-particle-support-JFR
January 9, 2025 09:36 1m 2s
errors to warnings
Testing with coveralls Report #207: Commit b4df654 pushed by JFRudzinski
January 9, 2025 09:36 1m 2s cg-particle-support-JFR
January 9, 2025 09:36 1m 2s
more angle progress
Installing and Testing #305: Commit 95352d3 pushed by JFRudzinski
January 9, 2025 08:55 1m 1s 113-add-force-field-schema
January 9, 2025 08:55 1m 1s
more angle progress
Testing with coveralls Report #206: Commit 95352d3 pushed by JFRudzinski
January 9, 2025 08:55 1m 16s 113-add-force-field-schema
January 9, 2025 08:55 1m 16s
modify reference determinants in HF base class
Testing with coveralls Report #205: Commit 271f69c pushed by EBB2675
January 2, 2025 09:53 1m 0s qc-model-method-contributions
January 2, 2025 09:53 1m 0s
modify reference determinants in HF base class
Installing and Testing #304: Commit 271f69c pushed by EBB2675
January 2, 2025 09:53 1m 5s qc-model-method-contributions
January 2, 2025 09:53 1m 5s
add MEnum for GTOIntegralDecomposition
Installing and Testing #303: Commit 09b0dfc pushed by EBB2675
January 2, 2025 08:28 1m 18s qc-model-method-contributions
January 2, 2025 08:28 1m 18s
add MEnum for GTOIntegralDecomposition
Testing with coveralls Report #204: Commit 09b0dfc pushed by EBB2675
January 2, 2025 08:28 1m 0s qc-model-method-contributions
January 2, 2025 08:28 1m 0s
- Move out electronic physical properties
Installing and Testing #302: Commit 430bfb8 pushed by ndaelman-hu
December 18, 2024 18:21 1m 4s test_new_physical_props
December 18, 2024 18:21 1m 4s
- Move out electronic physical properties
Testing with coveralls Report #203: Commit 430bfb8 pushed by ndaelman-hu
December 18, 2024 18:21 1m 1s test_new_physical_props
December 18, 2024 18:21 1m 1s
Extend to band structures
Installing and Testing #301: Commit ba97b08 pushed by ndaelman-hu
December 18, 2024 12:40 58s test_new_physical_props
December 18, 2024 12:40 58s
Extend to band structures
Testing with coveralls Report #202: Commit ba97b08 pushed by ndaelman-hu
December 18, 2024 12:40 57s test_new_physical_props
December 18, 2024 12:40 57s
Introduce Templates from Markus
Installing and Testing #300: Commit 6f8a7ea pushed by ndaelman-hu
December 17, 2024 22:51 1m 2s test_new_physical_props
December 17, 2024 22:51 1m 2s
Introduce Templates from Markus
Testing with coveralls Report #201: Commit 6f8a7ea pushed by ndaelman-hu
December 17, 2024 22:51 53s test_new_physical_props
December 17, 2024 22:51 53s
a placeholder for MO and LCAO
Installing and Testing #299: Commit 816c7ba pushed by EBB2675
December 16, 2024 15:32 1m 18s qc-model-method-contributions
December 16, 2024 15:32 1m 18s
a placeholder for MO and LCAO
Testing with coveralls Report #200: Commit 816c7ba pushed by EBB2675
December 16, 2024 15:32 1m 3s qc-model-method-contributions
December 16, 2024 15:32 1m 3s
Apply explanation Markus
Testing with coveralls Report #199: Commit b98615c pushed by ndaelman-hu
December 11, 2024 15:52 56s test_new_physical_props
December 11, 2024 15:52 56s