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newton-raphson loop done, working on test for conv
.github/workflows/python-package.yml #150: Commit 0ecb78d pushed by 2AUK
September 6, 2023 15:03 9m 37s master
September 6, 2023 15:03 9m 37s
gillan - new coefficients
.github/workflows/python-package.yml #149: Commit 9b6e345 pushed by 2AUK
September 6, 2023 13:36 8m 31s master
September 6, 2023 13:36 8m 31s
working on NR loop, checking teh indexing
.github/workflows/python-package.yml #148: Commit 99dc039 pushed by 2AUK
September 5, 2023 11:31 12m 59s master
September 5, 2023 11:31 12m 59s
changed depth to integer
.github/workflows/python-package.yml #147: Commit df0380e pushed by 2AUK
September 5, 2023 08:36 10m 16s rust_ext
September 5, 2023 08:36 10m 16s
testing mdiis object in python code
.github/workflows/python-package.yml #146: Commit 18ac74e pushed by 2AUK
September 1, 2023 23:44 9m 54s rust_ext
September 1, 2023 23:44 9m 54s
added RISMConfig class for tracking components
.github/workflows/python-package.yml #145: Commit b1593c3 pushed by 2AUK
August 31, 2023 17:48 10m 5s rust_ext
August 31, 2023 17:48 10m 5s
added picard step to MDIIS struct
.github/workflows/python-package.yml #144: Commit df51df1 pushed by 2AUK
August 31, 2023 14:30 9m 54s rust_ext
August 31, 2023 14:30 9m 54s
working on mdiis.rs class
.github/workflows/python-package.yml #143: Commit 2686665 pushed by 2AUK
August 31, 2023 13:22 9m 54s rust_ext
August 31, 2023 13:22 9m 54s
MDIIS seems to mess up with xrism.rs
.github/workflows/python-package.yml #142: Commit 312a47f pushed by 2AUK
August 30, 2023 17:14 9m 25s rust_ext
August 30, 2023 17:14 9m 25s
adding debug messages to solver
.github/workflows/python-package.yml #141: Commit ff2b040 pushed by 2AUK
August 30, 2023 16:53 9m 42s rust_ext
August 30, 2023 16:53 9m 42s
rust impl slower (probably bc overhead)
.github/workflows/python-package.yml #140: Commit 2b982b8 pushed by 2AUK
August 30, 2023 16:08 9m 26s rust_ext
August 30, 2023 16:08 9m 26s
cSPCE water convergence
.github/workflows/python-package.yml #139: Commit fd58d7c pushed by 2AUK
August 30, 2023 14:04 10m 16s rust_ext
August 30, 2023 14:04 10m 16s
python and rust xrism impls 1:1
.github/workflows/python-package.yml #138: Commit 5182ba1 pushed by 2AUK
August 30, 2023 13:54 9m 38s rust_ext
August 30, 2023 13:54 9m 38s
FFT library needs exploring in rust
.github/workflows/python-package.yml #137: Commit 4d8a4b3 pushed by 2AUK
August 29, 2023 17:38 8m 16s rust_ext
August 29, 2023 17:38 8m 16s
panic on first inversion
.github/workflows/python-package.yml #136: Commit 1263be4 pushed by 2AUK
August 29, 2023 17:07 7m 35s rust_ext
August 29, 2023 17:07 7m 35s
adding tuple obj
.github/workflows/python-package.yml #135: Commit dbb523f pushed by 2AUK
August 29, 2023 15:15 2m 6s rust_ext
August 29, 2023 15:15 2m 6s
working on py bindings for xrism.rs
.github/workflows/python-package.yml #134: Commit d23194b pushed by 2AUK
August 29, 2023 14:34 1m 34s rust_ext
August 29, 2023 14:34 1m 34s
setting up inputs for xrism integral equation
.github/workflows/python-package.yml #133: Commit 039b579 pushed by 2AUK
August 29, 2023 13:53 2m 6s rust_ext
August 29, 2023 13:53 2m 6s
Merge branch 'rust_ext' of github.com:2AUK/pyRISM into rust_ext
.github/workflows/python-package.yml #132: Commit 77b3c7e pushed by 2AUK
August 29, 2023 12:29 1m 42s rust_ext
August 29, 2023 12:29 1m 42s
fixed ffts for DRISM
.github/workflows/python-package.yml #131: Commit 9abb682 pushed by 2AUK
August 28, 2023 14:38 1m 27s rust_ext
August 28, 2023 14:38 1m 27s
converted dst to dstn
.github/workflows/python-package.yml #130: Commit 329dca2 pushed by 2AUK
August 28, 2023 12:31 1m 41s rust_ext
August 28, 2023 12:31 1m 41s
reducing grid npts in gillan_test
.github/workflows/python-package.yml #129: Commit 366f2a4 pushed by 2AUK
August 27, 2023 22:52 1m 6s rust_ext
August 27, 2023 22:52 1m 6s
rust extension working
.github/workflows/python-package.yml #128: Commit 55eff70 pushed by 2AUK
August 27, 2023 22:33 1m 13s rust_ext
August 27, 2023 22:33 1m 13s
trying to set up maturin as build tool
.github/workflows/python-package.yml #127: Commit 4ab4087 pushed by 2AUK
August 27, 2023 18:34 14m 28s rust_ext
August 27, 2023 18:34 14m 28s
switched from setup.py to pyproject.toml
.github/workflows/python-package.yml #126: Commit 0af2e24 pushed by 2AUK
August 27, 2023 14:57 14m 11s rust_ext
August 27, 2023 14:57 14m 11s