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Apply explanation Markus Testing with coveralls Report #199: Commit b98615c pushed by ndaelman-hu
December 11, 2024 15:52 56s test_new_physical_props
test_new_physical_props
December 11, 2024 15:52 56s
a placeholder for MO and LCAO Testing with coveralls Report #198: Commit 816c7ba pushed by EBB2675
December 11, 2024 14:20 1m 7s 130-atom-centered-basis-set
130-atom-centered-basis-set
December 11, 2024 14:20 1m 7s
Update physical_property.py (#157) Testing with coveralls Report #197: Commit 0c0caad pushed by ndaelman-hu
December 11, 2024 08:23 1m 5s develop
develop
December 11, 2024 08:23 1m 5s
Update physical_property.py Testing with coveralls Report #196: Commit a7fdce8 pushed by TLCFEM
December 11, 2024 03:52 1m 3s remove-dependency-of-placeholder
remove-dependency-of-placeholder
December 11, 2024 03:52 1m 3s
Bump dependencies (#147) Testing with coveralls Report #195: Commit 50154d5 pushed by TLCFEM
December 11, 2024 03:51 1m 3s remove-dependency-of-placeholder
remove-dependency-of-placeholder
December 11, 2024 03:51 1m 3s
add a simple HF class Testing with coveralls Report #194: Commit c9d6118 pushed by EBB2675
December 10, 2024 13:43 1m 0s 130-atom-centered-basis-set
130-atom-centered-basis-set
December 10, 2024 13:43 1m 0s
Add first rewrite Fermi surface Testing with coveralls Report #193: Commit 03f8906 pushed by ndaelman-hu
December 10, 2024 09:57 1m 5s test_new_physical_props
test_new_physical_props
December 10, 2024 09:57 1m 5s
errors to warnings Testing with coveralls Report #192: Commit 163f846 pushed by JFRudzinski
December 10, 2024 08:32 1m 5s cg-particle-support-JFR
cg-particle-support-JFR
December 10, 2024 08:32 1m 5s
mostly working implementation of particle cell Testing with coveralls Report #191: Commit 12a446f pushed by JFRudzinski
December 5, 2024 21:40 1m 6s cg-particle-support-JFR
cg-particle-support-JFR
December 5, 2024 21:40 1m 6s
add total_charge and total_spin to ModelSystem Testing with coveralls Report #190: Commit 2fd6398 pushed by EBB2675
December 5, 2024 14:59 1m 7s 130-atom-centered-basis-set
130-atom-centered-basis-set
December 5, 2024 14:59 1m 7s
initial investigation into harmonizing particles and atoms Testing with coveralls Report #189: Commit e9e830a pushed by JFRudzinski
December 4, 2024 20:54 1m 4s cg-particle-support-JFR
cg-particle-support-JFR
December 4, 2024 20:54 1m 4s
add method to LocalCorrelation Testing with coveralls Report #188: Commit 5c15e97 pushed by EBB2675
December 4, 2024 12:36 1m 9s 130-atom-centered-basis-set
130-atom-centered-basis-set
December 4, 2024 12:36 1m 9s
add OrbitalLocalization to numerical_settings.py Testing with coveralls Report #187: Commit 10e782c pushed by EBB2675
December 4, 2024 08:51 1m 2s 130-atom-centered-basis-set
130-atom-centered-basis-set
December 4, 2024 08:51 1m 2s
fix test_basis_set.py Testing with coveralls Report #186: Commit 4ac1076 pushed by EBB2675
December 4, 2024 08:00 1m 16s 130-atom-centered-basis-set
130-atom-centered-basis-set
December 4, 2024 08:00 1m 16s
marked issues from calls to ase functions Testing with coveralls Report #185: Commit 243cbb6 pushed by Bernadette-Mohr
December 3, 2024 16:29 1m 7s cg-particle-support
cg-particle-support
December 3, 2024 16:29 1m 7s
add a normalizer function for the AtomCenteredFunction to handle comb… Testing with coveralls Report #184: Commit 80c8b64 pushed by EBB2675
November 28, 2024 15:44 56s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 28, 2024 15:44 56s
Make chemical formula generation and normalization of atom types cond… Testing with coveralls Report #183: Commit a3805c2 pushed by Bernadette-Mohr
November 27, 2024 15:13 56s cg-particle-support
cg-particle-support
November 27, 2024 15:13 56s
Cell is 'ParticleCell', normalizer still calls atomic_cell.to_ase_atoms Testing with coveralls Report #182: Commit 4f1692a pushed by Bernadette-Mohr
November 22, 2024 12:57 57s cg-particle-support
cg-particle-support
November 22, 2024 12:57 57s
remove contributions Testing with coveralls Report #181: Commit 9ef13ea pushed by EBB2675
November 21, 2024 13:57 1m 25s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 21, 2024 13:57 1m 25s
MEnum for MolecularHamiltonianContributions Testing with coveralls Report #180: Commit 23d7615 pushed by EBB2675
November 21, 2024 10:15 1m 8s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 21, 2024 10:15 1m 8s
modify Mesh Testing with coveralls Report #179: Commit c5141ab pushed by EBB2675
November 20, 2024 15:56 1m 9s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 20, 2024 15:56 1m 9s
add tests for Mesh and NumericalIntegration Testing with coveralls Report #178: Commit 4826f0c pushed by EBB2675
November 20, 2024 13:10 1m 24s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 20, 2024 13:10 1m 24s
add tests for AtomCenteredBasisSet and AtomCenteredFunction Testing with coveralls Report #177: Commit e8fb5ef pushed by EBB2675
November 20, 2024 12:48 1m 6s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 20, 2024 12:48 1m 6s
check whether n_primitive matches the lengths of exponents and contra… Testing with coveralls Report #176: Commit 0f92eb9 pushed by EBB2675
November 20, 2024 12:32 1m 18s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 20, 2024 12:32 1m 18s
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
130-atom-centered-basis-set
November 20, 2024 10:42 1m 5s