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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
fix test_basis_set.py Installing and Testing #285: Commit 4ac1076 pushed by EBB2675
December 4, 2024 08:00 1m 15s 130-atom-centered-basis-set
130-atom-centered-basis-set
December 4, 2024 08:00 1m 15s
marked issues from calls to ase functions Installing and Testing #284: Commit 243cbb6 pushed by Bernadette-Mohr
December 3, 2024 16:29 1m 3s cg-particle-support
cg-particle-support
December 3, 2024 16:29 1m 3s
add a normalizer function for the AtomCenteredFunction to handle comb… Installing and Testing #283: Commit 80c8b64 pushed by EBB2675
November 28, 2024 15:44 1m 12s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 28, 2024 15:44 1m 12s
Make chemical formula generation and normalization of atom types cond… Installing and Testing #282: Commit a3805c2 pushed by Bernadette-Mohr
November 27, 2024 15:13 3m 7s cg-particle-support
cg-particle-support
November 27, 2024 15:13 3m 7s
Cell is 'ParticleCell', normalizer still calls atomic_cell.to_ase_atoms Installing and Testing #281: Commit 4f1692a pushed by Bernadette-Mohr
November 22, 2024 12:57 1m 6s cg-particle-support
cg-particle-support
November 22, 2024 12:57 1m 6s
remove contributions Installing and Testing #280: Commit 9ef13ea pushed by EBB2675
November 21, 2024 13:57 1m 20s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 21, 2024 13:57 1m 20s
MEnum for MolecularHamiltonianContributions Installing and Testing #279: Commit 23d7615 pushed by EBB2675
November 21, 2024 10:15 1m 14s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 21, 2024 10:15 1m 14s
modify Mesh Installing and Testing #278: Commit c5141ab pushed by EBB2675
November 20, 2024 15:56 1m 7s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 20, 2024 15:56 1m 7s
add tests for Mesh and NumericalIntegration Installing and Testing #277: Commit 4826f0c pushed by EBB2675
November 20, 2024 13:10 1m 19s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 20, 2024 13:10 1m 19s
add tests for AtomCenteredBasisSet and AtomCenteredFunction Installing and Testing #276: Commit e8fb5ef pushed by EBB2675
November 20, 2024 12:48 1m 34s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 20, 2024 12:48 1m 34s
check whether n_primitive matches the lengths of exponents and contra… Installing and Testing #275: Commit 0f92eb9 pushed by EBB2675
November 20, 2024 12:32 1m 5s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 20, 2024 12:32 1m 5s
add integration_thresh and weight_cutoff to NumericalIntegration Installing and Testing #274: Commit 42f4f38 pushed by EBB2675
November 20, 2024 10:42 1m 30s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 20, 2024 10:42 1m 30s