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Merge pull request #29 from robinzyb:devel Publish Python distributions to PyPI #77: Commit b972071 pushed by robinzyb
December 13, 2023 19:36 41s main
main
December 13, 2023 19:36 41s
add mulliken spin parser for cp2k Publish Python distributions to PyPI #76: Commit 031d3be pushed by robinzyb
December 13, 2023 19:34 43s devel
devel
December 13, 2023 19:34 43s
enhancement: update cell parser for .cell files Publish Python distributions to PyPI #75: Commit 53be2b6 pushed by robinzyb
November 23, 2023 21:27 40s devel
devel
November 23, 2023 21:27 40s
update pytest for xTBMD NPT_I simulation Publish Python distributions to PyPI #74: Commit 0e69094 pushed by robinzyb
November 16, 2023 21:54 44s devel
devel
November 16, 2023 21:54 44s
add NPT_I parser and for xTB Publish Python distributions to PyPI #73: Commit 1fae663 pushed by robinzyb
November 15, 2023 14:03 41s devel
devel
November 15, 2023 14:03 41s
add parsing md stress from output file Publish Python distributions to PyPI #72: Commit b8cbc48 pushed by robinzyb
November 14, 2023 22:11 41s devel
devel
November 14, 2023 22:11 41s
Bug Fixes: fix error type in cell.py get_dv function Publish Python distributions to PyPI #71: Commit 781a208 pushed by robinzyb
November 3, 2023 21:03 39s devel
devel
November 3, 2023 21:03 39s
bug fixes: dipole.py Publish Python distributions to PyPI #70: Commit 9282469 pushed by robinzyb
November 3, 2023 20:53 1m 1s devel
devel
November 3, 2023 20:53 1m 1s
Bug Fixes: parse dipole files Publish Python distributions to PyPI #69: Commit c4d9f14 pushed by robinzyb
November 3, 2023 20:51 42s devel
devel
November 3, 2023 20:51 42s
New Feature: cp2kcube reduce_resolution Publish Python distributions to PyPI #68: Commit 7d0b93e pushed by robinzyb
November 2, 2023 15:57 59s devel
devel
November 2, 2023 15:57 59s
Merge pull request #25 from robinzyb/devel Publish Python distributions to PyPI #67: Commit 5f44c64 pushed by robinzyb
November 2, 2023 14:25 46s main
main
November 2, 2023 14:25 46s
add parse dipole Publish Python distributions to PyPI #66: Commit a985941 pushed by robinzyb
November 1, 2023 10:52 51s devel
devel
November 1, 2023 10:52 51s
update new parser for dipole moments Publish Python distributions to PyPI #65: Commit 42f768f pushed by robinzyb
October 30, 2023 22:11 55s devel
devel
October 30, 2023 22:11 55s
update pytest for cp2kcell Publish Python distributions to PyPI #64: Commit a6aee13 pushed by robinzyb
October 26, 2023 21:54 54s devel
devel
October 26, 2023 21:54 54s
New Cp2kCube and Cp2kCell Publish Python distributions to PyPI #63: Commit 7a418a8 pushed by robinzyb
October 24, 2023 16:11 50s v0.6.2
v0.6.2
October 24, 2023 16:11 50s
New Cp2kCube and Cp2kCell Publish Python distributions to PyPI #62: Commit 7a418a8 pushed by robinzyb
October 24, 2023 16:07 57s main
main
October 24, 2023 16:07 57s
update readme and version Publish Python distributions to PyPI #61: Commit 1555e16 pushed by robinzyb
October 24, 2023 16:05 1m 0s devel
devel
October 24, 2023 16:05 1m 0s
New Feature: Cell class and update pytest Publish Python distributions to PyPI #60: Commit b024388 pushed by robinzyb
October 24, 2023 15:38 58s devel
devel
October 24, 2023 15:38 58s
update cube Publish Python distributions to PyPI #59: Commit cee83cc pushed by robinzyb
October 23, 2023 21:47 54s devel
devel
October 23, 2023 21:47 54s
New Features cube ascii view with adjustable width Publish Python distributions to PyPI #58: Commit fb2b4ce pushed by robinzyb
October 23, 2023 21:45 1m 1s devel
devel
October 23, 2023 21:45 1m 1s
remove dependencies on ectoolkit Publish Python distributions to PyPI #57: Commit 16dbc7e pushed by robinzyb
October 23, 2023 21:38 59s devel
devel
October 23, 2023 21:38 59s
update pip package Publish Python distributions to PyPI #56: Commit 3b6449e pushed by robinzyb
October 23, 2023 21:31 1m 5s devel
devel
October 23, 2023 21:31 1m 5s
bug fixes: update energy of cube to au (hartree) Publish Python distributions to PyPI #55: Commit 1593c18 pushed by robinzyb
October 23, 2023 13:45 59s devel
devel
October 23, 2023 13:45 59s
Merge branch 'main' into devel Publish Python distributions to PyPI #54: Commit 5ca5937 pushed by robinzyb
October 20, 2023 21:54 45s devel
devel
October 20, 2023 21:54 45s
Merge branch 'main' into devel Publish Python distributions to PyPI #53: Commit 0150dcf pushed by robinzyb
October 20, 2023 21:52 59s devel
devel
October 20, 2023 21:52 59s