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- Add atomic charges install-and-test-workflow #1012: Commit ebfddea pushed by ndaelman-hu
March 1, 2024 18:05 8m 12s vasp_system_charge
vasp_system_charge
March 1, 2024 18:05 8m 12s
Correct ZVAL extraction install-and-test-workflow #1011: Commit b40de47 pushed by ndaelman-hu
February 28, 2024 14:00 7m 49s vasp_system_charge
vasp_system_charge
February 28, 2024 14:00 7m 49s
Apply ruff (#205) install-and-test-workflow #1010: Commit f6273dc pushed by ndaelman-hu
February 28, 2024 13:30 8m 29s develop
develop
February 28, 2024 13:30 8m 29s
Reapply formatting after rebasing install-and-test-workflow #1009: Commit 5fee78e pushed by ndaelman-hu
February 28, 2024 12:08 8m 25s apply_ruff
apply_ruff
February 28, 2024 12:08 8m 25s
Improved parsing definitions for new schema install-and-test-workflow #1008: Commit 7a8faca pushed by JosePizarro3
February 27, 2024 14:49 6m 38s test_basesections
test_basesections
February 27, 2024 14:49 6m 38s
remove pyscf dep (#204) install-and-test-workflow #1007: Commit 77920b3 pushed by blueraft
February 26, 2024 14:50 8m 26s develop
develop
February 26, 2024 14:50 8m 26s
quantumespresso: more testing for the noncollinear case install-and-test-workflow #1006: Commit faf97db pushed by ondracka
February 26, 2024 10:10 9m 37s develop
develop
February 26, 2024 10:10 9m 37s
Improved parsing definitions for new schema install-and-test-workflow #1005: Commit 17bd47e pushed by JosePizarro3
February 26, 2024 09:25 5m 10s test_basesections
test_basesections
February 26, 2024 09:25 5m 10s
Apply ruff format install-and-test-workflow #1004: Commit c3d096c pushed by ndaelman-hu
February 22, 2024 19:48 8m 1s apply_ruff
apply_ruff
February 22, 2024 19:48 8m 1s
198 cp2k fatal error getting atomic numbers (#200) install-and-test-workflow #1003: Commit 887be8d pushed by ndaelman-hu
February 21, 2024 12:55 8m 53s develop
develop
February 21, 2024 12:55 8m 53s
Add test for v2023.1 test install-and-test-workflow #1002: Commit 885f603 pushed by ndaelman-hu
February 20, 2024 14:02 8m 40s 198-cp2k-fatal-error-getting-atomic-numbers
198-cp2k-fatal-error-getting-atomic-numbers
February 20, 2024 14:02 8m 40s
Add test for v2023.1 test install-and-test-workflow #1001: Commit c9ffbd0 pushed by ndaelman-hu
February 20, 2024 11:54 8m 12s 198-cp2k-fatal-error-getting-atomic-numbers
198-cp2k-fatal-error-getting-atomic-numbers
February 20, 2024 11:54 8m 12s
Update header to match v2023.1 install-and-test-workflow #1000: Commit 4601e4f pushed by ndaelman-hu
February 20, 2024 11:43 7m 38s 198-cp2k-fatal-error-getting-atomic-numbers
198-cp2k-fatal-error-getting-atomic-numbers
February 20, 2024 11:43 7m 38s
Defining AtomicState and is_representative install-and-test-workflow #999: Commit f38abaf pushed by JosePizarro3
February 20, 2024 09:02 5m 54s test_basesections
test_basesections
February 20, 2024 09:02 5m 54s
Ruff format code (#199) install-and-test-workflow #998: Commit f74c5d5 pushed by ndaelman-hu
February 19, 2024 15:03 7m 31s develop
develop
February 19, 2024 15:03 7m 31s
Remove superfluous implementation install-and-test-workflow #997: Commit 2e73061 pushed by ndaelman-hu
February 19, 2024 15:03 2m 27s 198-cp2k-fatal-error-getting-atomic-numbers
198-cp2k-fatal-error-getting-atomic-numbers
February 19, 2024 15:03 2m 27s
Ruff autoformat all parser install-and-test-workflow #996: Commit 1b5d740 pushed by ndaelman-hu
February 19, 2024 14:27 2m 52s apply_ruff_to_cp2k
apply_ruff_to_cp2k
February 19, 2024 14:27 2m 52s
Defining AtomicState and is_representative install-and-test-workflow #995: Commit fc7cb0a pushed by JosePizarro3
February 19, 2024 12:55 2m 28s test_basesections
test_basesections
February 19, 2024 12:55 2m 28s
Defining AtomicState and is_representative install-and-test-workflow #994: Commit 0ac7e9b pushed by JosePizarro3
February 16, 2024 11:16 5m 14s test_basesections
test_basesections
February 16, 2024 11:16 5m 14s
openmx: parse vdW info install-and-test-workflow #993: Commit 402b0e1 pushed by ondracka
February 15, 2024 14:44 7m 25s develop
develop
February 15, 2024 14:44 7m 25s
Add molpro electronic (#197) install-and-test-workflow #992: Commit 98b9a97 pushed by ndaelman-hu
February 14, 2024 11:53 7m 16s develop
develop
February 14, 2024 11:53 7m 16s
Update submodule path install-and-test-workflow #991: Commit 10ef41a pushed by ndaelman-hu
February 14, 2024 11:43 7m 30s add_molpro_electronic
add_molpro_electronic
February 14, 2024 11:43 7m 30s
Add molpro as submodule install-and-test-workflow #990: Commit a41d099 pushed by ndaelman-hu
February 14, 2024 11:28 7m 38s add_molpro_electronic
add_molpro_electronic
February 14, 2024 11:28 7m 38s
Update readme install-and-test-workflow #989: Commit 06ba84d pushed by ndaelman-hu
February 14, 2024 11:14 8m 1s add_molpro_electronic
add_molpro_electronic
February 14, 2024 11:14 8m 1s
Add molpro install-and-test-workflow #988: Commit 1537247 pushed by ndaelman-hu
February 14, 2024 09:32 7m 15s add_molpro_electronic
add_molpro_electronic
February 14, 2024 09:32 7m 15s