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different parameters for PMV .github/workflows/python-package.yml #125: Commit f0e1c06 pushed by 2AUK
August 23, 2023 17:41 14m 21s master
master
August 23, 2023 17:41 14m 21s
Merge branch 'master' of github.com:2AUK/pyRISM .github/workflows/python-package.yml #124: Commit 037b04f pushed by 2AUK
August 23, 2023 14:15 3m 33s master
master
August 23, 2023 14:15 3m 33s
dropping values from fft'd sfed .github/workflows/python-package.yml #123: Commit 41f8962 pushed by 2AUK
August 22, 2023 13:02 13m 38s master
master
August 22, 2023 13:02 13m 38s
simple script for plotting rfft with freqs .github/workflows/python-package.yml #122: Commit 540cafa pushed by 2AUK
August 22, 2023 12:15 13m 38s master
master
August 22, 2023 12:15 13m 38s
testing fft of sfeds .github/workflows/python-package.yml #121: Commit 68100fb pushed by 2AUK
August 22, 2023 12:09 9m 29s master
master
August 22, 2023 12:09 9m 29s
removed npts loop .github/workflows/python-package.yml #120: Commit 3e10a51 pushed by 2AUK
August 22, 2023 08:58 13m 49s master
master
August 22, 2023 08:58 13m 49s
Gillan takes too long to compute jacobian .github/workflows/python-package.yml #119: Commit d7adbaf pushed by 2AUK
August 21, 2023 13:41 13m 59s master
master
August 21, 2023 13:41 13m 59s
removed output scaling .github/workflows/python-package.yml #118: Commit 89298f8 pushed by 2AUK
August 17, 2023 13:56 3m 4s cnn
cnn
August 17, 2023 13:56 3m 4s
CNN outputs still seem incorrect; all very similar .github/workflows/python-package.yml #117: Commit 3eff0ea pushed by 2AUK
August 17, 2023 13:44 4m 24s cnn
cnn
August 17, 2023 13:44 4m 24s
scaling params computed; accounted for in code .github/workflows/python-package.yml #116: Commit cdc45a6 pushed by 2AUK
August 17, 2023 10:34 3m 29s cnn
cnn
August 17, 2023 10:34 3m 29s
pulling training inputs from full datasets .github/workflows/python-package.yml #115: Commit dc5b5d7 pushed by 2AUK
August 16, 2023 15:09 3m 58s cnn
cnn
August 16, 2023 15:09 3m 58s
need to split all PMVs into sep funcs .github/workflows/python-package.yml #114: Commit e906578 pushed by 2AUK
August 8, 2023 15:20 12m 57s master
master
August 8, 2023 15:20 12m 57s
diff forms for pmv .github/workflows/python-package.yml #113: Commit 96f9e6a pushed by 2AUK
August 8, 2023 15:08 13m 10s master
master
August 8, 2023 15:08 13m 10s
tried switching index for ck .github/workflows/python-package.yml #112: Commit 74f50ac pushed by 2AUK
August 8, 2023 13:17 13m 52s master
master
August 8, 2023 13:17 13m 52s
experimenting with PMV .github/workflows/python-package.yml #111: Commit c810407 pushed by 2AUK
August 8, 2023 12:24 8m 5s master
master
August 8, 2023 12:24 8m 5s
fixed importlib, added scaling .github/workflows/python-package.yml #110: Commit c6a3b87 pushed by 2AUK
August 8, 2023 11:35 3m 44s cnn
cnn
August 8, 2023 11:35 3m 44s
adding scaling parameters .github/workflows/python-package.yml #109: Commit 3a9b017 pushed by 2AUK
August 8, 2023 10:42 4m 6s cnn
cnn
August 8, 2023 10:42 4m 6s
different input file for PMV test .github/workflows/python-package.yml #108: Commit 1f2a288 pushed by 2AUK
August 4, 2023 10:23 13m 6s master
master
August 4, 2023 10:23 13m 6s
MKL vs openblas convergence issue? .github/workflows/python-package.yml #107: Commit 50717fc pushed by 2AUK
August 3, 2023 17:13 14m 47s master
master
August 3, 2023 17:13 14m 47s
dimensionless PMV .github/workflows/python-package.yml #106: Commit 0774d81 pushed by 2AUK
August 3, 2023 17:01 13m 11s master
master
August 3, 2023 17:01 13m 11s
experimenting with PMV form .github/workflows/python-package.yml #105: Commit 53bdb36 pushed by 2AUK
August 3, 2023 10:58 14m 19s master
master
August 3, 2023 10:58 14m 19s
working on autoscaling .github/workflows/python-package.yml #104: Commit d42a7eb pushed by 2AUK
August 3, 2023 09:09 4m 25s cnn
cnn
August 3, 2023 09:09 4m 25s
correct preprocessing now; next is to test .github/workflows/python-package.yml #103: Commit 6a93184 pushed by 2AUK
July 18, 2023 17:58 2m 59s cnn
cnn
July 18, 2023 17:58 2m 59s
added scaling for cnn input; not sure if correct .github/workflows/python-package.yml #102: Commit 3946068 pushed by 2AUK
July 18, 2023 17:22 4m 0s cnn
cnn
July 18, 2023 17:22 4m 0s
added OPLS parameters for 001tetr_1 .github/workflows/python-package.yml #101: Commit f44dada pushed by 2AUK
July 18, 2023 15:54 3m 1s cnn
cnn
July 18, 2023 15:54 3m 1s