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Add spiral solvation sampling. PyPi Release #253: Commit 520189c pushed by mgt16-LANL
June 13, 2025 22:23 34s Secondary_Solvation_Shell
Secondary_Solvation_Shell
June 13, 2025 22:23 34s
Add tqdm optional PyPi Release #252: Commit 394f6e1 pushed by mgt16-LANL
June 12, 2025 20:31 40s Secondary_Solvation_Shell
Secondary_Solvation_Shell
June 12, 2025 20:31 40s
only simple rmsd for md runs. PyPi Release #251: Commit 9ab2c0e pushed by mgt16-LANL
June 12, 2025 16:51 33s Secondary_Solvation_Shell
Secondary_Solvation_Shell
June 12, 2025 16:51 33s
Add workflow PyPi Release #250: Commit 543ce7b pushed by mgt16-LANL
June 11, 2025 20:44 36s Secondary_Solvation_Shell
Secondary_Solvation_Shell
June 11, 2025 20:44 36s
Merge branch 'Secondary_Solvation_Shell' of github.com:lanl/Architect… PyPi Release #249: Commit bbb79f6 pushed by mgt16-LANL
June 11, 2025 16:55 31s Secondary_Solvation_Shell
Secondary_Solvation_Shell
June 11, 2025 16:55 31s
swap actinides PyPi Release #248: Commit e23553c pushed by mgt16-LANL
June 4, 2025 22:22 38s Secondary_Solvation_Shell
Secondary_Solvation_Shell
June 4, 2025 22:22 38s
Add omol/uma plumbing PyPi Release #247: Commit 1dcbbf0 pushed by mgt16-LANL
June 4, 2025 20:18 38s Secondary_Solvation_Shell
Secondary_Solvation_Shell
June 4, 2025 20:18 38s
add fg_inds. PyPi Release #246: Commit b35ae8d pushed by mgt16-LANL
May 28, 2025 23:16 33s Secondary_Solvation_Shell
Secondary_Solvation_Shell
May 28, 2025 23:16 33s
high denticity linear sum assignment PyPi Release #245: Commit b66b74e pushed by mgt16-LANL
May 15, 2025 20:10 35s Secondary_Solvation_Shell
Secondary_Solvation_Shell
May 15, 2025 20:10 35s
UMA handling with io_calc PyPi Release #244: Commit fb9167c pushed by mgt16-LANL
May 15, 2025 16:00 37s Secondary_Solvation_Shell
Secondary_Solvation_Shell
May 15, 2025 16:00 37s
Sphere transparency PyPi Release #243: Commit c381e88 pushed by mgt16-LANL
May 13, 2025 15:28 44s Secondary_Solvation_Shell
Secondary_Solvation_Shell
May 13, 2025 15:28 44s
Overhaul, Symmetry reduction, clean code. PyPi Release #242: Commit f603ca2 pushed by mgt16-LANL
May 9, 2025 17:50 33s Secondary_Solvation_Shell
Secondary_Solvation_Shell
May 9, 2025 17:50 33s
Add CN13 core. PyPi Release #241: Commit a7c4c84 pushed by mgt16-LANL
May 2, 2025 02:34 34s Secondary_Solvation_Shell
Secondary_Solvation_Shell
May 2, 2025 02:34 34s
Add asa calculator. PyPi Release #240: Commit 3a0cbbd pushed by mgt16-LANL
April 30, 2025 15:46 38s Secondary_Solvation_Shell
Secondary_Solvation_Shell
April 30, 2025 15:46 38s
Tweak logo PyPi Release #239: Commit e31fde3 pushed by mgt16-LANL
April 18, 2025 17:25 31s Secondary_Solvation_Shell
Secondary_Solvation_Shell
April 18, 2025 17:25 31s
Update logo PyPi Release #238: Commit ce5db97 pushed by mgt16-LANL
April 18, 2025 15:10 34s Secondary_Solvation_Shell
Secondary_Solvation_Shell
April 18, 2025 15:10 34s
Add logo v1 PyPi Release #237: Commit 343af2d pushed by mgt16-LANL
April 17, 2025 23:40 32s Secondary_Solvation_Shell
Secondary_Solvation_Shell
April 17, 2025 23:40 32s
int bug fix. PyPi Release #236: Commit 293d056 pushed by mgt16-LANL
April 15, 2025 22:35 31s Secondary_Solvation_Shell
Secondary_Solvation_Shell
April 15, 2025 22:35 31s
Add some latest features illustrations. PyPi Release #235: Commit baee60a pushed by mgt16-LANL
April 7, 2025 15:51 36s Secondary_Solvation_Shell
Secondary_Solvation_Shell
April 7, 2025 15:51 36s
bug fix PyPi Release #234: Commit b0f8148 pushed by mgt16-LANL
April 4, 2025 20:00 35s Secondary_Solvation_Shell
Secondary_Solvation_Shell
April 4, 2025 20:00 35s
Add ability to visually tag atoms in pymol. PyPi Release #233: Commit 49b3cf6 pushed by mgt16-LANL
April 4, 2025 19:49 36s Secondary_Solvation_Shell
Secondary_Solvation_Shell
April 4, 2025 19:49 36s
Add more custom options pymol. PyPi Release #232: Commit 065b644 pushed by mgt16-LANL
April 3, 2025 23:46 31s Secondary_Solvation_Shell
Secondary_Solvation_Shell
April 3, 2025 23:46 31s
Credit thomas. Update doc. PyPi Release #231: Commit 494b43c pushed by mgt16-LANL
April 3, 2025 18:48 37s Secondary_Solvation_Shell
Secondary_Solvation_Shell
April 3, 2025 18:48 37s
Add pymol rendering as an option PyPi Release #230: Commit c588683 pushed by mgt16-LANL
April 3, 2025 18:33 34s Secondary_Solvation_Shell
Secondary_Solvation_Shell
April 3, 2025 18:33 34s
Merge branch 'Secondary_Solvation_Shell' of github.com:lanl/Architect… PyPi Release #229: Commit a07813a pushed by mgt16-LANL
April 3, 2025 01:13 30s Secondary_Solvation_Shell
Secondary_Solvation_Shell
April 3, 2025 01:13 30s