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RelaxCalc allow selecting any ASE Optimizer by name and raise better … Linting #76: Commit ee5848b pushed by janosh
August 13, 2023 22:47 2m 59s any-ase-optim
any-ase-optim
August 13, 2023 22:47 2m 59s
Improve examples with multiple UPs. Linting #75: Commit 2c5a168 pushed by shyuep
August 11, 2023 18:03 3m 48s main
main
August 11, 2023 18:03 3m 48s
Allow optimizer to be set for EOS. Linting #74: Commit 3a0e485 pushed by shyuep
August 11, 2023 15:48 3m 23s main
main
August 11, 2023 15:48 3m 23s
Set default fmax for everythng to 0.1. Linting #73: Commit 10da158 pushed by shyuep
August 11, 2023 15:03 3m 23s main
main
August 11, 2023 15:03 3m 23s
Rename elasticity keys. Linting #72: Commit 7003477 pushed by shyuep
August 11, 2023 03:47 3m 8s main
main
August 11, 2023 03:47 3m 8s
Update notebook. Linting #71: Commit 9d6b6ef pushed by shyuep
August 10, 2023 21:55 2m 54s main
main
August 10, 2023 21:55 2m 54s
Fix test tolerances. Linting #70: Commit 9019509 pushed by shyuep
August 10, 2023 20:56 3m 36s main
main
August 10, 2023 20:56 3m 36s
Allow the max_abs_strain to be set. Linting #69: Commit 7de16f3 pushed by shyuep
August 10, 2023 20:53 3m 34s main
main
August 10, 2023 20:53 3m 34s
Fix test regression. Linting #68: Commit 7be0eb5 pushed by shyuep
August 10, 2023 20:36 3m 24s main
main
August 10, 2023 20:36 3m 24s
Update changelog. Linting #67: Commit fc3de74 pushed by shyuep
August 10, 2023 20:10 3m 44s main
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August 10, 2023 20:10 3m 44s
Fix tests. Linting #66: Commit c715624 pushed by shyuep
August 10, 2023 20:03 3m 51s main
main
August 10, 2023 20:03 3m 51s
Rename K (GPa) to bulk_modulus. Linting #65: Commit a213e8c pushed by shyuep
August 10, 2023 19:27 3m 17s main
main
August 10, 2023 19:27 3m 17s
Fix test accuracy. Linting #64: Commit 83d5439 pushed by shyuep
August 10, 2023 18:18 3m 19s main
main
August 10, 2023 18:18 3m 19s
Update example. Linting #63: Commit 2ea65cf pushed by shyuep
August 10, 2023 18:03 2m 57s main
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August 10, 2023 18:03 2m 57s
Add example notebook. Linting #62: Commit 8d62e88 pushed by shyuep
August 10, 2023 17:45 3m 42s main
main
August 10, 2023 17:45 3m 42s
Refactor elasticity. Pin phonopy. Linting #61: Commit 913c8e8 pushed by shyuep
August 10, 2023 16:54 3m 3s main
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August 10, 2023 16:54 3m 3s
Merge branch 'main' of github.com:materialsvirtuallab/matcalc Linting #60: Commit 023e096 pushed by shyuep
August 10, 2023 15:12 3m 12s main
main
August 10, 2023 15:12 3m 12s
change import order Linting #59: Commit b01f347 pushed by PROA200
August 10, 2023 00:33 2m 58s main
main
August 10, 2023 00:33 2m 58s
Add elastic properties calculator Linting #58: Commit e79f7a5 pushed by PROA200
August 10, 2023 00:12 3m 23s main
main
August 10, 2023 00:12 3m 23s
Add EOS calculator. Linting #57: Commit a385ed9 pushed by shyuep
August 9, 2023 20:23 2m 53s main
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August 9, 2023 20:23 2m 53s
Just test based on py3.10. No point doing 3.9 too. Linting #56: Commit 62c1e31 pushed by shyuep
August 8, 2023 15:19 3m 18s main
main
August 8, 2023 15:19 3m 18s
Even more code simplifications. Linting #55: Commit 9dfce04 pushed by shyuep
August 8, 2023 15:05 2m 55s main
main
August 8, 2023 15:05 2m 55s
Fix bad code in relax. Linting #54: Commit ba771fb pushed by shyuep
August 8, 2023 14:06 3m 25s main
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August 8, 2023 14:06 3m 25s
Update pmg. Linting #53: Commit f0b9962 pushed by shyuep
August 8, 2023 13:56 4m 10s main
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August 8, 2023 13:56 4m 10s
Improve phonon code. Linting #52: Commit c6f463f pushed by shyuep
August 8, 2023 13:54 3m 37s main
main
August 8, 2023 13:54 3m 37s