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Atom mapping update
Build MDANSE #399: Pull request #339 opened by ChiCheng45
March 4, 2024 14:54 7m 9s chi/atom-mapping
March 4, 2024 14:54 7m 9s
applied black
Build MDANSE #398: Commit 5136707 pushed by ChiCheng45
March 4, 2024 14:34 8m 24s chi/atom-mapping
March 4, 2024 14:34 8m 24s
test fixes
Build MDANSE #397: Commit e67e214 pushed by ChiCheng45
March 4, 2024 14:30 12m 25s chi/atom-mapping
March 4, 2024 14:30 12m 25s
added atom mapping to lammps
Build MDANSE #395: Commit 4ff80d5 pushed by ChiCheng45
March 1, 2024 17:44 10m 17s chi/atom-mapping
March 1, 2024 17:44 10m 17s
applied black
Build MDANSE #394: Commit d1ac426 pushed by ChiCheng45
March 1, 2024 16:28 7m 4s chi/atom-mapping
March 1, 2024 16:28 7m 4s
Build MDANSE
Build MDANSE #393: by ChiCheng45
March 1, 2024 15:48 14m 56s chi/atom-mapping
March 1, 2024 15:48 14m 56s
Make McStasVirtualInstrument run without crashing
Build MDANSE #392: Commit c868b0c pushed by MBartkowiakSTFC
March 1, 2024 13:21 6m 41s correct-analysis-bugs
March 1, 2024 13:21 6m 41s
added atom mapping to forcite, discover, dftb and dmol
Build MDANSE #391: Commit 98a1a60 pushed by ChiCheng45
March 1, 2024 10:59 7m 32s chi/atom-mapping
March 1, 2024 10:59 7m 32s
fixed test
Build MDANSE #390: Commit f2ce5a0 pushed by ChiCheng45
March 1, 2024 10:22 10m 25s chi/atom-mapping
March 1, 2024 10:22 10m 25s
added atom mapping to cp2k
Build MDANSE #389: Commit 3e4ac66 pushed by ChiCheng45
March 1, 2024 09:24 6m 18s chi/atom-mapping
March 1, 2024 09:24 6m 18s
applied black
Build MDANSE #388: Commit bf53150 pushed by ChiCheng45
February 29, 2024 17:27 13m 38s chi/atom-mapping
February 29, 2024 17:27 13m 38s
fixed castep and added atom mapping
Build MDANSE #387: Commit 67929d4 pushed by ChiCheng45
February 29, 2024 17:24 11m 24s chi/atom-mapping
February 29, 2024 17:24 11m 24s
Add qprocess job launching
Build MDANSE #386: Pull request #328 synchronize by MBartkowiakSTFC
February 29, 2024 16:53 12m 28s add-qprocess-job-launching
February 29, 2024 16:53 12m 28s
Add qprocess job launching
Build MDANSE #384: Pull request #328 synchronize by MBartkowiakSTFC
February 29, 2024 12:07 14m 44s add-qprocess-job-launching
February 29, 2024 12:07 14m 44s
Correct the progress reporting of converters
Build MDANSE #383: Commit 4262e2f pushed by MBartkowiakSTFC
February 29, 2024 12:07 11m 32s add-qprocess-job-launching
February 29, 2024 12:07 11m 32s
applied black
Build MDANSE #382: Commit 7b357cb pushed by ChiCheng45
February 28, 2024 18:11 7m 13s chi/atom-mapping
February 28, 2024 18:11 7m 13s
updated mapping so more checking is done
Build MDANSE #381: Commit 0a5741b pushed by ChiCheng45
February 28, 2024 17:59 12m 13s chi/atom-mapping
February 28, 2024 17:59 12m 13s
Merge pull request #338 from ISISNeutronMuon/chi/atom-color-update
Build MDANSE #380: Commit 519049f pushed by MBartkowiakSTFC
February 28, 2024 13:52 7m 13s protos
February 28, 2024 13:52 7m 13s
Atom colour update
Build MDANSE #379: Pull request #338 opened by ChiCheng45
February 28, 2024 13:18 11m 32s chi/atom-color-update
February 28, 2024 13:18 11m 32s
Merge pull request #337 from ISISNeutronMuon/chi/code-cleanup
Build MDANSE #377: Commit dbe2711 pushed by ChiCheng45
February 28, 2024 11:36 22m 16s protos
February 28, 2024 11:36 22m 16s
remove unused code
Build MDANSE #376: Pull request #337 opened by ChiCheng45
February 28, 2024 11:32 26m 9s chi/code-cleanup
February 28, 2024 11:32 26m 9s
remove unused code
Build MDANSE #375: Commit 467a9a1 pushed by ChiCheng45
February 28, 2024 11:32 22m 7s chi/code-cleanup
February 28, 2024 11:32 22m 7s