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add a placeholder MolecularOrbitalsState Installing and Testing #310: Commit 6f3e30b pushed by EBB2675
January 15, 2025 12:54 59s qc-model-method-contributions
qc-model-method-contributions
January 15, 2025 12:54 59s
- 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
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
qc-model-method-contributions
January 14, 2025 10:24 1m 13s
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
qc-model-method-contributions
January 13, 2025 08:27 1m 17s
errors to warnings Installing and Testing #306: Commit b4df654 pushed by JFRudzinski
January 9, 2025 09:36 1m 2s cg-particle-support-JFR
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
113-add-force-field-schema
January 9, 2025 08:55 1m 1s
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
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
qc-model-method-contributions
January 2, 2025 08:28 1m 18s
- 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
test_new_physical_props
December 18, 2024 18:21 1m 4s
Extend to band structures Installing and Testing #301: Commit ba97b08 pushed by ndaelman-hu
December 18, 2024 12:40 58s test_new_physical_props
test_new_physical_props
December 18, 2024 12:40 58s
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
test_new_physical_props
December 17, 2024 22:51 1m 2s
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
qc-model-method-contributions
December 16, 2024 15:32 1m 18s
Apply explanation Markus Installing and Testing #298: Commit b98615c pushed by ndaelman-hu
December 11, 2024 15:52 1m 3s test_new_physical_props
test_new_physical_props
December 11, 2024 15:52 1m 3s
a placeholder for MO and LCAO Installing and Testing #297: Commit 816c7ba pushed by EBB2675
December 11, 2024 14:20 1m 18s 130-atom-centered-basis-set
130-atom-centered-basis-set
December 11, 2024 14:20 1m 18s
Update physical_property.py (#157) Installing and Testing #296: Commit 0c0caad pushed by ndaelman-hu
December 11, 2024 08:23 1m 13s develop
develop
December 11, 2024 08:23 1m 13s
Update physical_property.py Installing and Testing #295: Commit a7fdce8 pushed by TLCFEM
December 11, 2024 03:52 1m 14s remove-dependency-of-placeholder
remove-dependency-of-placeholder
December 11, 2024 03:52 1m 14s
Bump dependencies (#147) Installing and Testing #294: Commit 50154d5 pushed by TLCFEM
December 11, 2024 03:51 1m 14s remove-dependency-of-placeholder
remove-dependency-of-placeholder
December 11, 2024 03:51 1m 14s
add a simple HF class Installing and Testing #293: Commit c9d6118 pushed by EBB2675
December 10, 2024 13:43 1m 9s 130-atom-centered-basis-set
130-atom-centered-basis-set
December 10, 2024 13:43 1m 9s
Add first rewrite Fermi surface Installing and Testing #292: Commit 03f8906 pushed by ndaelman-hu
December 10, 2024 09:57 1m 0s test_new_physical_props
test_new_physical_props
December 10, 2024 09:57 1m 0s
errors to warnings Installing and Testing #291: Commit 163f846 pushed by JFRudzinski
December 10, 2024 08:32 57s cg-particle-support-JFR
cg-particle-support-JFR
December 10, 2024 08:32 57s
mostly working implementation of particle cell Installing and Testing #290: Commit 12a446f pushed by JFRudzinski
December 5, 2024 21:40 52s cg-particle-support-JFR
cg-particle-support-JFR
December 5, 2024 21:40 52s
add total_charge and total_spin to ModelSystem Installing and Testing #289: Commit 2fd6398 pushed by EBB2675
December 5, 2024 14:59 1m 26s 130-atom-centered-basis-set
130-atom-centered-basis-set
December 5, 2024 14:59 1m 26s
initial investigation into harmonizing particles and atoms Installing and Testing #288: Commit e9e830a pushed by JFRudzinski
December 4, 2024 20:54 53s cg-particle-support-JFR
cg-particle-support-JFR
December 4, 2024 20:54 53s
add method to LocalCorrelation Installing and Testing #287: Commit 5c15e97 pushed by EBB2675
December 4, 2024 12:36 1m 21s 130-atom-centered-basis-set
130-atom-centered-basis-set
December 4, 2024 12:36 1m 21s
add OrbitalLocalization to numerical_settings.py Installing and Testing #286: Commit 10e782c pushed by EBB2675
December 4, 2024 08:51 1m 22s 130-atom-centered-basis-set
130-atom-centered-basis-set
December 4, 2024 08:51 1m 22s