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Embedding ifc
AbiPy linting #365: Pull request #282 opened by jbouquiaux
January 10, 2024 11:54 51s jbouquiaux:embedding_ifc
January 10, 2024 11:54 51s
Implement forces and conversion factors
AbiPy linting #364: Commit 752e57d pushed by gmatteo
December 6, 2023 14:51 46s develop
December 6, 2023 14:51 46s
Preliminary versiob of CP2extXYZ converter
AbiPy linting #363: Commit 0b49b16 pushed by gmatteo
December 6, 2023 10:53 45s develop
December 6, 2023 10:53 45s
EventReport.stat file not found error handling (#281)
AbiPy linting #362: Commit 9a9f42e pushed by gmatteo
December 4, 2023 10:52 46s develop
December 4, 2023 10:52 46s
Fixed wrong order of array indices in eph/rta.py (#276)
AbiPy linting #361: Commit 92b5b16 pushed by gmatteo
December 4, 2023 10:05 54s develop
December 4, 2023 10:05 54s
Add plot_lruj.py example
AbiPy linting #360: Commit a365b66 pushed by gmatteo
December 1, 2023 17:08 46s develop
December 1, 2023 17:08 46s
EventReport.stat file not found error handling
AbiPy linting #359: Pull request #281 opened by gbrunin
December 1, 2023 14:32 42s gbrunin:develop
December 1, 2023 14:32 42s
Merge branch 'develop' of https://github.com/abinit/abipy into develop
AbiPy linting #358: Commit f2f10a1 pushed by gmatteo
November 30, 2023 21:31 45s develop
November 30, 2023 21:31 45s
LRUJ plot (#280)
AbiPy linting #357: Commit 8f47905 pushed by gmatteo
November 30, 2023 17:24 1m 4s develop
November 30, 2023 17:24 1m 4s
Fix docstring
AbiPy linting #355: Commit 674ad48 pushed by gmatteo
November 29, 2023 21:51 40s develop
November 29, 2023 21:51 40s
Add lruj module
AbiPy linting #354: Commit 0b0aa92 pushed by gmatteo
November 29, 2023 14:48 59s develop
November 29, 2023 14:48 59s
Removed bugs in abipy.panels.core.ply() function (#277)
AbiPy linting #353: Commit 1d1968a pushed by gmatteo
November 21, 2023 21:28 1m 5s develop
November 21, 2023 21:28 1m 5s
Code cleanup
AbiPy linting #347: Commit 59e3816 pushed by gmatteo
November 15, 2023 14:39 49s develop
November 15, 2023 14:39 49s
Increase fmax to 0.03 if NEB + fix problem with get_Stress with voigt
AbiPy linting #346: Commit 726ef59 pushed by gmatteo
November 10, 2023 18:01 44s develop
November 10, 2023 18:01 44s
cleanup
AbiPy linting #345: Commit f0709d8 pushed by gmatteo
November 9, 2023 13:56 42s develop
November 9, 2023 13:56 42s
Add SlurmJobArray
AbiPy linting #344: Commit 5c5687a pushed by gmatteo
November 9, 2023 12:44 1m 4s develop
November 9, 2023 12:44 1m 4s
Add support for xyz files via ASE
AbiPy linting #343: Commit d7591d4 pushed by gmatteo
November 8, 2023 16:18 42s develop
November 8, 2023 16:18 42s
Refactoring
AbiPy linting #342: Commit ff62bc4 pushed by gmatteo
October 24, 2023 14:03 53s develop
October 24, 2023 14:03 53s
Refactoring MD Analyzer
AbiPy linting #341: Commit c888d94 pushed by gmatteo
October 23, 2023 10:01 54s develop
October 23, 2023 10:01 54s
analyzer
AbiPy linting #340: Commit 25a40ba pushed by gmatteo
October 20, 2023 17:04 58s develop
October 20, 2023 17:04 58s
Md stuff
AbiPy linting #338: Commit 4a72dd5 pushed by gmatteo
October 16, 2023 13:44 1m 26s develop
October 16, 2023 13:44 1m 26s
Implement restart capabilities in abiml.py md
AbiPy linting #337: Commit e9601ba pushed by gmatteo
October 11, 2023 17:42 2m 17s develop
October 11, 2023 17:42 2m 17s
Write QE POS file at the end of abiml md
AbiPy linting #336: Commit 36887d9 pushed by gmatteo
October 10, 2023 21:02 1m 0s develop
October 10, 2023 21:02 1m 0s
Delay imports of Poscar and Chgcar of pymatgen.io.vasp.outputs
AbiPy linting #335: Commit e3d3776 pushed by gmatteo
October 6, 2023 14:55 2m 0s develop
October 6, 2023 14:55 2m 0s
Try to fix breaking changes introduced in pymatgenv2023.10.3
AbiPy linting #333: Commit d172fb8 pushed by gmatteo
October 4, 2023 09:13 1m 4s develop
October 4, 2023 09:13 1m 4s