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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 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
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
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… 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
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
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 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
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
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 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
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 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
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 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 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
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… 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
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
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