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error in KH closure; converging now .github/workflows/python-package.yml #225: Commit 0943c34 pushed by 2AUK
October 10, 2023 14:52 5m 11s rust_ext
rust_ext
October 10, 2023 14:52 5m 11s
debugging drism iterations .github/workflows/python-package.yml #224: Commit dd97c4a pushed by 2AUK
October 10, 2023 12:10 4m 57s rust_ext
rust_ext
October 10, 2023 12:10 4m 57s
.github/workflows/python-package.yml .github/workflows/python-package.yml #223: by 2AUK
October 9, 2023 14:33 5m 28s rust_ext
rust_ext
October 9, 2023 14:33 5m 28s
quaternion rotation code working for water+nacl .github/workflows/python-package.yml #222: Commit 06df38a pushed by 2AUK
October 7, 2023 15:32 5m 1s rust_ext
rust_ext
October 7, 2023 15:32 5m 1s
double checking quaternion rotations .github/workflows/python-package.yml #221: Commit 1292605 pushed by 2AUK
October 7, 2023 13:07 5m 41s rust_ext
rust_ext
October 7, 2023 13:07 5m 41s
quaternion still janky .github/workflows/python-package.yml #220: Commit 6a9b26d pushed by 2AUK
October 6, 2023 15:19 4m 58s rust_ext
rust_ext
October 6, 2023 15:19 4m 58s
moved fftwplan to transform functions, par'd .github/workflows/python-package.yml #219: Commit 40e7bf6 pushed by 2AUK
October 6, 2023 12:11 4m 46s rust_ext
rust_ext
October 6, 2023 12:11 4m 46s
Switching dipole funcs to work on sites .github/workflows/python-package.yml #218: Commit 276cd82 pushed by 2AUK
October 6, 2023 11:45 4m 12s rust_ext
rust_ext
October 6, 2023 11:45 4m 12s
Dipole not aligning properly .github/workflows/python-package.yml #217: Commit 7a68544 pushed by 2AUK
October 5, 2023 14:46 5m 24s rust_ext
rust_ext
October 5, 2023 14:46 5m 24s
Principal axes alignment .github/workflows/python-package.yml #216: Commit 32cc877 pushed by 2AUK
October 5, 2023 11:20 4m 10s rust_ext
rust_ext
October 5, 2023 11:20 4m 10s
added moment of inertia code .github/workflows/python-package.yml #215: Commit 195b0b3 pushed by 2AUK
October 4, 2023 17:43 5m 17s rust_ext
rust_ext
October 4, 2023 17:43 5m 17s
appeased cargo check .github/workflows/python-package.yml #214: Commit 54d1fab pushed by 2AUK
October 4, 2023 15:17 4m 56s rust_ext
rust_ext
October 4, 2023 15:17 4m 56s
Working on orientation code .github/workflows/python-package.yml #213: Commit bd6537d pushed by 2AUK
October 4, 2023 15:07 5m 1s rust_ext
rust_ext
October 4, 2023 15:07 5m 1s
routines for dipole moments .github/workflows/python-package.yml #212: Commit c51de47 pushed by 2AUK
October 4, 2023 13:41 5m 43s rust_ext
rust_ext
October 4, 2023 13:41 5m 43s
function for computing total charge (needs test) .github/workflows/python-package.yml #211: Commit 773d789 pushed by 2AUK
October 3, 2023 19:55 5m 12s rust_ext
rust_ext
October 3, 2023 19:55 5m 12s
Quaternion code + vector rotation .github/workflows/python-package.yml #210: Commit b850e20 pushed by 2AUK
October 3, 2023 14:17 6m 14s rust_ext
rust_ext
October 3, 2023 14:17 6m 14s
Adding quaternion newtype (wrapped ndarray) .github/workflows/python-package.yml #209: Commit f607271 pushed by 2AUK
October 2, 2023 22:40 4m 12s rust_ext
rust_ext
October 2, 2023 22:40 4m 12s
nocapture to just test .github/workflows/python-package.yml #208: Commit 05efdd3 pushed by 2AUK
October 2, 2023 00:45 6m 46s rust_ext
rust_ext
October 2, 2023 00:45 6m 46s
added combined just recipe for build+run .github/workflows/python-package.yml #207: Commit eda7384 pushed by 2AUK
October 2, 2023 00:44 4m 50s rust_ext
rust_ext
October 2, 2023 00:44 4m 50s
added justfile for some repetitive commands .github/workflows/python-package.yml #206: Commit a723416 pushed by 2AUK
October 2, 2023 00:43 5m 8s rust_ext
rust_ext
October 2, 2023 00:43 5m 8s
starting quaternion code .github/workflows/python-package.yml #205: Commit 617e882 pushed by 2AUK
October 2, 2023 00:36 5m 35s rust_ext
rust_ext
October 2, 2023 00:36 5m 35s
added structure for UV code .github/workflows/python-package.yml #204: Commit 424e684 pushed by 2AUK
September 29, 2023 15:39 4m 58s rust_ext
rust_ext
September 29, 2023 15:39 4m 58s
added DRISM; need dipole alignment code now .github/workflows/python-package.yml #203: Commit d521d8a pushed by 2AUK
September 29, 2023 15:14 5m 17s rust_ext
rust_ext
September 29, 2023 15:14 5m 17s
added checking for DRISM to start alignment code .github/workflows/python-package.yml #202: Commit 2965ca5 pushed by 2AUK
September 29, 2023 13:54 4m 57s rust_ext
rust_ext
September 29, 2023 13:54 4m 57s
working on DRISM impl .github/workflows/python-package.yml #201: Commit afe280b pushed by 2AUK
September 29, 2023 12:09 4m 41s rust_ext
rust_ext
September 29, 2023 12:09 4m 41s