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test push
Installing and Testing #249: Commit caf6c6b pushed by JFRudzinski
October 29, 2024 09:46 1m 17s test_push
October 29, 2024 09:46 1m 17s
move GTOIntegralDecomposition to NumericalSettings
Installing and Testing #248: Commit 62de243 pushed by EBB2675
October 24, 2024 15:03 1m 18s 130-atom-centered-basis-set
October 24, 2024 15:03 1m 18s
merge develop
Installing and Testing #247: Commit a007e1e pushed by EBB2675
October 18, 2024 10:20 1m 8s 130-atom-centered-basis-set
October 18, 2024 10:20 1m 8s
Converted lattice vectors to Nomad-compatible matrix format.
Installing and Testing #246: Commit ed21371 pushed by Bernadette-Mohr
October 16, 2024 16:58 53s cg-particle-support
October 16, 2024 16:58 53s
rename IntegralDecomposition to GTOIntegralDecomposition
Installing and Testing #245: Commit a0c48e5 pushed by EBB2675
October 16, 2024 14:09 1m 11s ri-approximation
October 16, 2024 14:09 1m 11s
restructure RI, add IntegralDecomposition class
Installing and Testing #244: Commit 7bb24f8 pushed by EBB2675
October 16, 2024 13:04 1m 19s ri-approximation
October 16, 2024 13:04 1m 19s
Remove check for n_ quantities
Installing and Testing #242: Commit dec63f6 pushed by ndaelman-hu
October 16, 2024 12:48 1m 16s 143-physicalproperty-rank-checks-broken
October 16, 2024 12:48 1m 16s
Extend equalities with comparison (#122)
Installing and Testing #241: Commit 20d2fb2 pushed by ndaelman-hu
October 16, 2024 12:36 1m 47s develop
October 16, 2024 12:36 1m 47s
cosx has its own grid
Installing and Testing #240: Commit d341853 pushed by EBB2675
October 16, 2024 12:05 1m 15s ri-approximation
October 16, 2024 12:05 1m 15s
add a placeholder for COSX
Installing and Testing #239: Commit bc155be pushed by EBB2675
October 16, 2024 11:55 1m 18s ri-approximation
October 16, 2024 11:55 1m 18s
add a draft ResolutionOfIdentity to NumericalSettings
Installing and Testing #238: Commit 806a733 pushed by EBB2675
October 16, 2024 11:46 1m 15s ri-approximation
October 16, 2024 11:46 1m 15s
Add some methods for the cell (#140)
Installing and Testing #237: Commit 8b360d2 pushed by EBB2675
October 16, 2024 09:11 1m 26s ri-approximation
October 16, 2024 09:11 1m 26s
Reinsert get_chemical_symbols
Installing and Testing #236: Commit 4887cb4 pushed by ndaelman-hu
October 15, 2024 12:13 1m 17s extend_equalities
October 15, 2024 12:13 1m 17s
Move _check_implemented outside of PartialOrderElement
Installing and Testing #235: Commit ad29fa0 pushed by ndaelman-hu
October 15, 2024 11:52 1m 18s extend_equalities
October 15, 2024 11:52 1m 18s
working on CG schema
Installing and Testing #234: Commit 9508fd9 pushed by Bernadette-Mohr
October 14, 2024 15:47 57s cg-particle-support
October 14, 2024 15:47 57s
a bit of a cleanup
Installing and Testing #233: Commit c94e995 pushed by EBB2675
October 14, 2024 09:08 1m 3s 130-atom-centered-basis-set
October 14, 2024 09:08 1m 3s
working on CG schema
Installing and Testing #232: Commit beb7a8b pushed by Bernadette-Mohr
October 11, 2024 13:28 57s cg-particle-support
October 11, 2024 13:28 57s
fix point charge Quantity type
Installing and Testing #231: Commit 8c6ae1a pushed by EBB2675
October 11, 2024 12:55 1m 3s 130-atom-centered-basis-set
October 11, 2024 12:55 1m 3s
Add ! comments for asking Alvin
Installing and Testing #230: Commit 2d7c4a9 pushed by JosePizarro3
October 10, 2024 10:15 1m 37s 100-trying-restructured-workflows
October 10, 2024 10:15 1m 37s
Fix resolve_inputs_outputs
Installing and Testing #229: Commit f337b73 pushed by JosePizarro3
October 10, 2024 10:10 1m 46s 100-trying-restructured-workflows
October 10, 2024 10:10 1m 46s
Improved schema with new workflow base sections
Installing and Testing #228: Commit 7f46488 pushed by JosePizarro3
October 10, 2024 10:03 1m 52s 100-trying-restructured-workflows
October 10, 2024 10:03 1m 52s
Improved schema with new workflow base sections
Installing and Testing #227: Commit 2cf0f99 pushed by JosePizarro3
October 10, 2024 09:57 1m 45s 100-trying-restructured-workflows
October 10, 2024 09:57 1m 45s
Improved schema with new workflow base sections
Installing and Testing #226: Commit 447535d pushed by JosePizarro3
October 10, 2024 09:55 24s 100-trying-restructured-workflows
October 10, 2024 09:55 24s
Improved schema with new workflow base sections
Installing and Testing #225: Commit 0732ea7 pushed by JosePizarro3
October 10, 2024 08:35 1m 45s 100-trying-restructured-workflows
October 10, 2024 08:35 1m 45s