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Implemented a converter from a CRYSTAL23 output file to the TREX-IO format. TOOLS CI #75: Pull request #36 opened by kousuke-nakano
February 25, 2024 00:14 2m 34s kousuke-nakano:crystal_to_trexio_converter
kousuke-nakano:crystal_to_trexio_converter
February 25, 2024 00:14 2m 34s
Fixing basis_r_power TOOLS CI #74: Pull request #35 synchronize by scemama
January 22, 2024 13:00 2m 14s basis_r_power
basis_r_power
January 22, 2024 13:00 2m 14s
Fixing basis_r_power TOOLS CI #73: Pull request #35 opened by scemama
January 22, 2024 12:51 28s basis_r_power
basis_r_power
January 22, 2024 12:51 28s
Merge pull request #32 from TREX-CoE/pyscf_to_trexio_converter TOOLS CI #72: Commit 912cbd4 pushed by q-posev
January 18, 2024 16:31 2m 10s master
master
January 18, 2024 16:31 2m 10s
Merge pull request #32 from TREX-CoE/pyscf_to_trexio_converter Publish Python distributions to PyPI #85: Commit 912cbd4 pushed by q-posev
January 18, 2024 16:31 15s master
master
January 18, 2024 16:31 15s
Merge pull request #33 from TREX-CoE/fix_orca Publish Python distributions to PyPI #84: Commit 6654488 pushed by scemama
January 18, 2024 14:00 15s master
master
January 18, 2024 14:00 15s
Merge pull request #33 from TREX-CoE/fix_orca TOOLS CI #71: Commit 6654488 pushed by scemama
January 18, 2024 14:00 2m 19s master
master
January 18, 2024 14:00 2m 19s
Update of PySCF checkpoint files for the GitHub action TOOLS CI #70: Pull request #32 synchronize by kousuke-nakano
January 18, 2024 11:01 2m 16s pyscf_to_trexio_converter
pyscf_to_trexio_converter
January 18, 2024 11:01 2m 16s
Add basis_r_power to orca and pyscf converters TOOLS CI #69: Pull request #33 synchronize by q-posev
January 18, 2024 10:30 2m 16s fix_orca
fix_orca
January 18, 2024 10:30 2m 16s
Add basis_r_power to orca and pyscf converters TOOLS CI #68: Pull request #33 synchronize by q-posev
January 18, 2024 10:20 35s fix_orca
fix_orca
January 18, 2024 10:20 35s
Add basis_r_power to orca and pyscf converters TOOLS CI #67: Pull request #33 opened by scemama
January 11, 2024 13:57 36s fix_orca
fix_orca
January 11, 2024 13:57 36s
Update of PySCF checkpoint files for the GitHub action TOOLS CI #66: Pull request #32 synchronize by kousuke-nakano
January 8, 2024 08:01 33s pyscf_to_trexio_converter
pyscf_to_trexio_converter
January 8, 2024 08:01 33s
Update of PySCF checkpoint files for the GitHub action TOOLS CI #65: Pull request #32 opened by kousuke-nakano
December 20, 2023 02:10 36s pyscf_to_trexio_converter
pyscf_to_trexio_converter
December 20, 2023 02:10 36s
[pypi release] Release 0.7 TOOLS CI #64: Commit c31e321 pushed by q-posev
December 19, 2023 16:44 31s master
master
December 19, 2023 16:44 31s
[pypi release] Release 0.7 Publish Python distributions to PyPI #83: Commit c31e321 pushed by q-posev
December 19, 2023 16:44 1m 4s master
master
December 19, 2023 16:44 1m 4s
Merge pull request #30 from joguenzl/master Publish Python distributions to PyPI #82: Commit 0172c03 pushed by q-posev
December 15, 2023 16:22 12s master
master
December 15, 2023 16:22 12s
Merge pull request #30 from joguenzl/master TOOLS CI #63: Commit 0172c03 pushed by q-posev
December 15, 2023 16:22 35s master
master
December 15, 2023 16:22 35s
NAO functionality, FCIDUMP & spherical->cartesian converter TOOLS CI #60: Pull request #30 synchronize by joguenzl
December 11, 2023 13:50 41s joguenzl:master
joguenzl:master
December 11, 2023 13:50 41s
[pypi release] Release 0.6 TOOLS CI #55: Commit 5eb1ff4 pushed by q-posev
October 2, 2023 09:25 2m 48s master
master
October 2, 2023 09:25 2m 48s
[pypi release] Release 0.6 Publish Python distributions to PyPI #81: Commit 5eb1ff4 pushed by q-posev
October 2, 2023 09:25 3m 4s master
master
October 2, 2023 09:25 3m 4s
Add check-mos tests for files converted from ORCA and PySCF TOOLS CI #54: Commit 29f733c pushed by q-posev
September 25, 2023 13:19 2m 40s master
master
September 25, 2023 13:19 2m 40s
Add check-mos tests for files converted from ORCA and PySCF Publish Python distributions to PyPI #80: Commit 29f733c pushed by q-posev
September 25, 2023 13:19 14s master
master
September 25, 2023 13:19 14s
Merge pull request #28 from v1j4y/orca_trexio_doc_info TOOLS CI #53: Commit 3e2539f pushed by v1j4y
September 25, 2023 13:12 1m 42s master
master
September 25, 2023 13:12 1m 42s
Merge pull request #28 from v1j4y/orca_trexio_doc_info Publish Python distributions to PyPI #79: Commit 3e2539f pushed by v1j4y
September 25, 2023 13:12 15s master
master
September 25, 2023 13:12 15s
Orca trexio doc info TOOLS CI #52: Pull request #28 opened by v1j4y
September 25, 2023 13:12 1m 58s v1j4y:orca_trexio_doc_info
v1j4y:orca_trexio_doc_info
September 25, 2023 13:12 1m 58s