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steps input for CO2 Regression Test #379: Commit 9251489 pushed by Trovemaster
June 27, 2024 17:10 1m 39s develop
develop
June 27, 2024 17:10 1m 39s
pot_ext_const dipole field of user type Regression Test #378: Commit b7403c4 pushed by Trovemaster
June 27, 2024 15:31 1m 46s develop
develop
June 27, 2024 15:31 1m 46s
Create pot_NH3_Egerov.f90 Regression Test #377: Commit cb53711 pushed by Trovemaster
June 27, 2024 11:31 1m 39s develop
develop
June 27, 2024 11:31 1m 39s
correcting a big in printouts in pot_name in pot-user Regression Test #376: Commit e30c8a8 pushed by Trovemaster
June 27, 2024 08:39 1m 30s develop
develop
June 27, 2024 08:39 1m 30s
modified pots to allow simultaneous omp usage Regression Test #375: Commit a7062dd pushed by Trovemaster
May 28, 2024 21:02 1m 28s develop
develop
May 28, 2024 21:02 1m 28s
Modifying the state line list name to include J1 and J2 into the file… Regression Test #374: Commit c9a797f pushed by Trovemaster
May 28, 2024 15:38 1m 32s develop
develop
May 28, 2024 15:38 1m 32s
CS2 and H2O new pess implemented Regression Test #373: Commit f07a1e2 pushed by Trovemaster
May 28, 2024 14:56 1m 39s develop
develop
May 28, 2024 14:56 1m 39s
CS2 PES by Huang implemented as a general type Regression Test #372: Commit b08161f pushed by Trovemaster
May 26, 2024 21:35 1m 24s develop
develop
May 26, 2024 21:35 1m 24s
for gfortran change i to i8 Regression Test #371: Commit 6768d3e pushed by Trovemaster
May 22, 2024 11:19 1m 33s develop
develop
May 22, 2024 11:19 1m 33s
/hartree changed to *hartree Regression Test #370: Commit d9f0c2e pushed by Trovemaster
May 19, 2024 21:25 1m 18s develop
develop
May 19, 2024 21:25 1m 18s
CH3OH symmetry transformations Regression Test #369: Commit 7a01f72 pushed by Trovemaster
May 19, 2024 16:53 1m 15s develop
develop
May 19, 2024 16:53 1m 15s
updated CH3OH Regression Test #368: Commit ac41997 pushed by Trovemaster
May 18, 2024 18:59 1m 54s develop
develop
May 18, 2024 18:59 1m 54s
Create CH3OH_Bowman_01.inp Regression Test #367: Commit 2f56831 pushed by Trovemaster
May 17, 2024 14:47 1m 30s develop
develop
May 17, 2024 14:47 1m 30s
Update pot_CH3OH_Bowman.f90 Regression Test #366: Commit 2daafd3 pushed by Trovemaster
May 17, 2024 14:42 1m 30s develop
develop
May 17, 2024 14:42 1m 30s
Symmetrisation of CH3D C3V corrected Regression Test #365: Commit f9d6efe pushed by Trovemaster
May 15, 2024 21:05 1m 14s develop
develop
May 15, 2024 21:05 1m 14s
Lots of changes Regression Test #364: Commit b2a7ef8 pushed by Trovemaster
May 15, 2024 20:01 1m 36s develop
develop
May 15, 2024 20:01 1m 36s
quantum numbers in documentation Regression Test #363: Commit ea1953d pushed by Trovemaster
April 27, 2024 13:17 1m 31s develop
develop
April 27, 2024 13:17 1m 31s
Update outputs.rst Regression Test #362: Commit efe00a7 pushed by Trovemaster
April 27, 2024 13:07 1m 18s develop
develop
April 27, 2024 13:07 1m 18s
add write_divided_slice error and add description of Nassignments Regression Test #361: Commit b3242e6 pushed by Trovemaster
April 27, 2024 12:57 1m 25s develop
develop
April 27, 2024 12:57 1m 25s
Update pot_xy2.f90 Regression Test #360: Commit 1fd850c pushed by Trovemaster
March 21, 2024 21:53 1m 37s develop
develop
March 21, 2024 21:53 1m 37s
radau KE XYZ Regression Test #359: Commit 2048ec8 pushed by Trovemaster
March 20, 2024 15:50 1m 35s develop
develop
March 20, 2024 15:50 1m 35s
updated r2-bond-KE-xyz Regression Test #358: Commit eefdb42 pushed by Trovemaster
March 17, 2024 12:47 1m 42s develop
develop
March 17, 2024 12:47 1m 42s
New frame xyz r2-z-r1-bond, ne EKE for the same case and DMS transfor… Regression Test #357: Commit 0ee2cd3 pushed by Trovemaster
March 16, 2024 15:15 1m 34s develop
develop
March 16, 2024 15:15 1m 34s
xyz_bond-r2 KE added, new xy2 dipole moments that can differentiate b… Regression Test #356: Commit ff88d92 pushed by Trovemaster
March 16, 2024 13:05 1m 40s develop
develop
March 16, 2024 13:05 1m 40s
xyz_dipole modified for z-bond and bisecting frames Regression Test #355: Commit 9d040d2 pushed by Trovemaster
March 10, 2024 10:32 1m 30s develop
develop
March 10, 2024 10:32 1m 30s