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some input file for C3H6 and CH3OH Regression Test #354: Commit b2e0dd2 pushed by Trovemaster
March 5, 2024 13:11 1m 33s develop
develop
March 5, 2024 13:11 1m 33s
Create .readthedocs.yaml Regression Test #353: Commit 65099d1 pushed by Trovemaster
March 2, 2024 11:04 1m 37s develop
develop
March 2, 2024 11:04 1m 37s
new O3 PES, modification of Legendre for negative sin(rho)), new fram… Regression Test #352: Commit 68ae3a3 pushed by Trovemaster
March 1, 2024 23:28 1m 31s develop
develop
March 1, 2024 23:28 1m 31s
Schroeder dipole added, GAIN intensity corrected, fitting Regression Test #351: Commit 9ec4ef8 pushed by Trovemaster
December 29, 2023 17:47 1m 33s develop
develop
December 29, 2023 17:47 1m 33s
dms N2O Schroeder added Regression Test #350: Commit c5f7a29 pushed by Trovemaster
November 24, 2023 23:28 1m 31s develop
develop
November 24, 2023 23:28 1m 31s
Fixed rotational symmetries for ND2H and NH2D Regression Test #349: Commit 2eb2a89 pushed by Trovemaster
October 1, 2023 20:17 3m 10s develop
develop
October 1, 2023 20:17 3m 10s
frame is introduced; the ND2H and NH2D cases should be now working wi… Regression Test #348: Commit fb25db8 pushed by Trovemaster
September 29, 2023 15:02 7m 28s develop
develop
September 29, 2023 15:02 7m 28s
added check for krot when forming rotational basis to reduce its size Regression Test #347: Commit bc1cfa5 pushed by Trovemaster
September 11, 2023 16:08 3m 47s develop
develop
September 11, 2023 16:08 3m 47s
fix the control problem where basis can overright J in control step 3 Regression Test #346: Commit 7b280c0 pushed by Trovemaster
September 9, 2023 22:32 2m 27s develop
develop
September 9, 2023 22:32 2m 27s
Update mol_zxy2.f90 Regression Test #345: Commit 76dbba6 pushed by Trovemaster
September 7, 2023 20:33 3m 56s develop
develop
September 7, 2023 20:33 3m 56s
new coordinate transformation for ND2H and NHD2 with dihedral Regression Test #344: Commit b8f7384 pushed by Trovemaster
September 7, 2023 17:01 6m 31s develop
develop
September 7, 2023 17:01 6m 31s
CSNV, bug in contracted basis for sing_triatom, compact form for fiel… Regression Test #343: Commit c9d15f6 pushed by Trovemaster
August 25, 2023 11:33 5m 23s develop
develop
August 25, 2023 11:33 5m 23s
Update fields.f90 Regression Test #342: Commit 9187739 pushed by Trovemaster
July 6, 2023 14:10 4m 14s develop
develop
July 6, 2023 14:10 4m 14s
bugs found in dipole and molecules Regression Test #341: Commit cb3b2e5 pushed by Trovemaster
July 4, 2023 18:32 6m 21s develop
develop
July 4, 2023 18:32 6m 21s
Update potentials.rst Regression Test #340: Commit 7b5484c pushed by Trovemaster
June 13, 2023 22:51 2m 54s develop
develop
June 13, 2023 22:51 2m 54s
HOOH Regression Test #339: Commit dd913d6 pushed by Trovemaster
June 13, 2023 22:35 3m 0s develop
develop
June 13, 2023 22:35 3m 0s
H3O+ and CO2 PES Regression Test #338: Commit b6a9305 pushed by Trovemaster
June 13, 2023 22:08 2m 32s develop
develop
June 13, 2023 22:08 2m 32s
Update potentials.rst Regression Test #337: Commit 4653376 pushed by Trovemaster
June 12, 2023 18:51 6m 39s develop
develop
June 12, 2023 18:51 6m 39s
Update potentials.rst Regression Test #336: Commit 39660d5 pushed by Trovemaster
June 11, 2023 23:15 2m 25s develop
develop
June 11, 2023 23:15 2m 25s
Update potentials.rst Regression Test #335: Commit 647a961 pushed by Trovemaster
June 11, 2023 21:07 2m 35s develop
develop
June 11, 2023 21:07 2m 35s
New PES for XY3 Regression Test #334: Commit 9cddf95 pushed by Trovemaster
June 11, 2023 20:59 2m 37s develop
develop
June 11, 2023 20:59 2m 37s
Update frames.rst Regression Test #333: Commit 1e651ec pushed by Trovemaster
June 11, 2023 19:45 3m 11s develop
develop
June 11, 2023 19:45 3m 11s
Update potentials.rst Regression Test #332: Commit c38aad3 pushed by Trovemaster
June 11, 2023 09:33 2m 36s develop
develop
June 11, 2023 09:33 2m 36s
Update potentials.rst Regression Test #331: Commit 6823109 pushed by Trovemaster
June 8, 2023 00:08 3m 25s develop
develop
June 8, 2023 00:08 3m 25s
H2CS Regression Test #330: Commit b3527d2 pushed by Trovemaster
June 7, 2023 17:54 6m 20s develop
develop
June 7, 2023 17:54 6m 20s