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Futher formatting
.github/workflows/JOSS_draft-PDF.yaml #82: Commit 30469f1 pushed by kavanase
March 26, 2024 03:52 2m 34s shallow_defects
March 26, 2024 03:52 2m 34s
Suggested refactoring ("phs" -> "eigenvalues" etc) and some formatting
.github/workflows/JOSS_draft-PDF.yaml #81: Commit 04ea5f0 pushed by kavanase
March 26, 2024 03:44 1m 38s shallow_defects
March 26, 2024 03:44 1m 38s
Cleanup tutorial & tips page (output cleared from some cells when mer…
.github/workflows/JOSS_draft-PDF.yaml #80: Commit a35ba99 pushed by kavanase
March 25, 2024 20:23 2m 52s shallow_defects
March 25, 2024 20:23 2m 52s
Merge branch 'develop' into shallow_defects
.github/workflows/JOSS_draft-PDF.yaml #79: Commit ca0eb16 pushed by kavanase
March 25, 2024 18:30 2m 16s shallow_defects
March 25, 2024 18:30 2m 16s
Add mini sections to tips docs and advanced analysis tutorial about `…
.github/workflows/JOSS_draft-PDF.yaml #78: Commit 6b76fe3 pushed by kavanase
March 25, 2024 18:23 3m 23s paper
March 25, 2024 18:23 3m 23s
Add mini sections to tips docs and advanced analysis tutorial about `…
.github/workflows/JOSS_draft-PDF.yaml #77: Commit 6b76fe3 pushed by kavanase
March 25, 2024 18:14 1m 47s develop
March 25, 2024 18:14 1m 47s
Add tip to thermo tutorial about multiplicity being defined wrt primi…
.github/workflows/JOSS_draft-PDF.yaml #76: Commit 393286a pushed by kavanase
March 25, 2024 17:50 1m 44s develop
March 25, 2024 17:50 1m 44s
Avoid unnecessary oxi state guessing in _get_unrelaxed_structure
.github/workflows/JOSS_draft-PDF.yaml #75: Commit 2cafbbb pushed by kavanase
March 25, 2024 14:24 1m 56s develop
March 25, 2024 14:24 1m 56s
Fix vise check for parsing PROCAR with SOC
.github/workflows/JOSS_draft-PDF.yaml #74: Commit c5020ae pushed by adair-nicolson
March 25, 2024 12:41 1m 38s shallow_defects
March 25, 2024 12:41 1m 38s
Update paper list
.github/workflows/JOSS_draft-PDF.yaml #73: Commit 4db9bd4 pushed by kavanase
March 23, 2024 00:28 1m 29s develop
March 23, 2024 00:28 1m 29s
Add custom supercell generation section to advanced analysis docs, an…
.github/workflows/JOSS_draft-PDF.yaml #72: Commit c3ded5c pushed by kavanase
March 22, 2024 23:15 1m 24s develop
March 22, 2024 23:15 1m 24s
Add note about needing to clone SnB repo for example data (JOSS revie…
.github/workflows/JOSS_draft-PDF.yaml #71: Commit faf6e87 pushed by kavanase
March 22, 2024 22:23 1m 37s develop
March 22, 2024 22:23 1m 37s
Add virtual environment installation instructions (JOSS review R1 Q2)…
.github/workflows/JOSS_draft-PDF.yaml #70: Commit eda6e3d pushed by kavanase
March 22, 2024 21:39 1m 19s develop
March 22, 2024 21:39 1m 19s
Update tests
.github/workflows/JOSS_draft-PDF.yaml #69: Commit 5263ca5 pushed by kavanase
March 22, 2024 20:56 1m 35s develop
March 22, 2024 20:56 1m 35s
Test files
.github/workflows/JOSS_draft-PDF.yaml #68: Commit 61054ad pushed by adair-nicolson
March 22, 2024 19:30 1m 30s shallow_defects
March 22, 2024 19:30 1m 30s
Can't use gzip Procar
.github/workflows/JOSS_draft-PDF.yaml #67: Commit 6d919ef pushed by adair-nicolson
March 22, 2024 14:34 2m 34s shallow_defects
March 22, 2024 14:34 2m 34s
Add import error catches for vise/pydefect as they're not auto-in…
.github/workflows/JOSS_draft-PDF.yaml #66: Commit a2337db pushed by kavanase
March 20, 2024 22:51 1m 27s develop
March 20, 2024 22:51 1m 27s
Make chempots parsing backwards compatible
.github/workflows/JOSS_draft-PDF.yaml #65: Commit e63701c pushed by kavanase
March 20, 2024 22:18 1m 43s develop
March 20, 2024 22:18 1m 43s
add docstrings
.github/workflows/JOSS_draft-PDF.yaml #64: Commit c6d8835 pushed by alexsquires
March 20, 2024 19:24 1m 48s dopey_fermi
March 20, 2024 19:24 1m 48s
Merge develop updates – CdTe example defects parsing with PHS state…
.github/workflows/JOSS_draft-PDF.yaml #63: Commit c9d4062 pushed by kavanase
March 16, 2024 02:05 1m 43s shallow_defects
March 16, 2024 02:05 1m 43s
Update oxi-state handling; guess for bulk supercell once when parsing…
.github/workflows/JOSS_draft-PDF.yaml #62: Commit 8309792 pushed by kavanase
March 16, 2024 01:49 1m 35s develop
March 16, 2024 01:49 1m 35s
Use ThreadPool instead of Process to avoid issues when using oxi-…
.github/workflows/JOSS_draft-PDF.yaml #61: Commit eb9ab21 pushed by kavanase
March 15, 2024 03:24 1m 20s develop
March 15, 2024 03:24 1m 20s
Add test_solid_solution_oxi_state_handling
.github/workflows/JOSS_draft-PDF.yaml #60: Commit 1dc7ec4 pushed by kavanase
March 14, 2024 20:56 1m 28s develop
March 14, 2024 20:56 1m 28s
Handle oxi state guessing in parsing similar to generation, trying wi…
.github/workflows/JOSS_draft-PDF.yaml #59: Commit ba8df59 pushed by kavanase
March 14, 2024 18:52 1m 29s develop
March 14, 2024 18:52 1m 29s
Fix spglib to 2.0.2 for the moment, as it avoids unnecessary debu…
.github/workflows/JOSS_draft-PDF.yaml #58: Commit f79c026 pushed by kavanase
March 14, 2024 14:54 1m 47s develop
March 14, 2024 14:54 1m 47s