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Merge pull request #68 from popelier-group/docs/ichor-summary
Run Tests #135: Commit 567ea5a pushed by oliviaaten
November 19, 2024 10:30 1m 15s main
November 19, 2024 10:30 1m 15s
add supported file formats
Run Tests #134: Pull request #68 opened by oliviaaten
November 14, 2024 10:20 1m 13s docs/ichor-summary
November 14, 2024 10:20 1m 13s
add commented out newer version for hexadecupole
Run Tests #133: Commit 863b6c9 pushed by m-julian
October 30, 2024 16:36 1m 11s main
October 30, 2024 16:36 1m 11s
Merge pull request #67 from popelier-group/test
Run Tests #132: Commit 2beb465 pushed by m-julian
October 30, 2024 15:18 1m 19s main
October 30, 2024 15:18 1m 19s
Update orca_output.py
Run Tests #131: Pull request #67 synchronize by oliviaaten
October 30, 2024 11:51 1m 15s test
October 30, 2024 11:51 1m 15s
Update orca_output.py
Run Tests #130: Pull request #67 synchronize by oliviaaten
October 30, 2024 11:48 1m 14s test
October 30, 2024 11:48 1m 14s
Update orca_output.py
Run Tests #129: Pull request #67 synchronize by oliviaaten
October 30, 2024 11:41 1m 14s test
October 30, 2024 11:41 1m 14s
Update orca_output.py
Run Tests #128: Pull request #67 synchronize by oliviaaten
October 30, 2024 11:41 1m 12s test
October 30, 2024 11:41 1m 12s
add docstrings
Run Tests #127: Commit 0bc8056 pushed by oliviaaten
October 30, 2024 11:35 1m 12s main
October 30, 2024 11:35 1m 12s
Update orca_output.py
Run Tests #126: Pull request #67 synchronize by oliviaaten
October 30, 2024 10:19 1m 23s test
October 30, 2024 10:19 1m 23s
Update orca_output.py
Run Tests #125: Pull request #67 opened by oliviaaten
October 30, 2024 10:03 1m 16s test
October 30, 2024 10:03 1m 16s
add example notebook
Run Tests #124: Commit fc04be4 pushed by m-julian
October 17, 2024 15:05 1m 21s main
October 17, 2024 15:05 1m 21s
add docstrings
Run Tests #123: Commit 0bc8056 pushed by m-julian
October 17, 2024 14:32 1m 11s main
October 17, 2024 14:32 1m 11s
update octupole equations
Run Tests #122: Commit 31e8053 pushed by m-julian
October 17, 2024 14:21 1m 15s main
October 17, 2024 14:21 1m 15s
use general equations for quadrupole
Run Tests #121: Commit 59487bb pushed by m-julian
October 17, 2024 12:13 1m 16s main
October 17, 2024 12:13 1m 16s
use primed function for dipole
Run Tests #120: Commit 89c9371 pushed by m-julian
October 17, 2024 12:06 1m 11s main
October 17, 2024 12:06 1m 11s
remove older equations
Run Tests #119: Commit c12b475 pushed by m-julian
October 17, 2024 11:56 1m 15s main
October 17, 2024 11:56 1m 15s
remove unnecessary conversion
Run Tests #118: Commit e66f9eb pushed by m-julian
October 17, 2024 11:51 1m 6s main
October 17, 2024 11:51 1m 6s
Add docstrings to the functions
Run Tests #117: Commit a853afa pushed by m-julian
October 17, 2024 11:46 1m 12s main
October 17, 2024 11:46 1m 12s
remove unnecessary file paths
Run Tests #116: Commit f00738b pushed by m-julian
October 16, 2024 19:36 1m 7s main
October 16, 2024 19:36 1m 7s
add molecular multipole moment recovery unit tests
Run Tests #115: Commit f641fce pushed by m-julian
October 16, 2024 19:34 1m 8s main
October 16, 2024 19:34 1m 8s
change name of function
Run Tests #114: Commit bb7f649 pushed by m-julian
October 16, 2024 19:15 1m 24s main
October 16, 2024 19:15 1m 24s
remove f3prime function
Run Tests #113: Commit df2ddb0 pushed by m-julian
October 16, 2024 19:10 1m 10s main
October 16, 2024 19:10 1m 10s
working hexadecapole
Run Tests #112: Commit 35060f5 pushed by m-julian
October 16, 2024 19:00 1m 13s main
October 16, 2024 19:00 1m 13s
fixed wrong index in equation
Run Tests #111: Commit 810baf6 pushed by m-julian
October 16, 2024 18:02 1m 15s main
October 16, 2024 18:02 1m 15s