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User contributions for Vs13

Results for Vs13 talk block log uploads logs

A user with 89 edits. Account created on 5 April 2013.

11:5511:55, 29 April 2013 diff hist 0 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/run →Files created by the generator current
11:5411:54, 29 April 2013 diff hist −3 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/run →The Generator
11:4811:48, 29 April 2013 diff hist 0 N File:Fulv totalE.png No edit summary current
11:4711:47, 29 April 2013 diff hist 0 N File:Fulv pop.png No edit summary current
11:4711:47, 29 April 2013 diff hist 0 N File:Fulv1.png No edit summary current
11:4311:43, 29 April 2013 diff hist −423 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/run →Making a Movie
11:2511:25, 29 April 2013 diff hist −2 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/run →Example: butadiene
11:0811:08, 29 April 2013 diff hist 0 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/run →Restarting dynamics jobs
10:5610:56, 29 April 2013 diff hist +38 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/run →Modifications to be made to the files before running the dynamics
10:5510:55, 29 April 2013 diff hist 0 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/run →Running the dynamics
10:4910:49, 29 April 2013 diff hist −2,096 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/run →Modifications to be made to the files before running the dynamics
10:4810:48, 29 April 2013 diff hist −6 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/run →Files created by the generator
10:4610:46, 29 April 2013 diff hist −22 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/run →Files created by the generator
10:3810:38, 29 April 2013 diff hist −8 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/run →List of questions asked by dd_generator
10:3710:37, 29 April 2013 diff hist +3 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/run →List of questions asked by dd_generator
10:3610:36, 29 April 2013 diff hist +29 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/run →The Generator

16:5116:51, 25 April 2013 diff hist −2,432 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/run →Basic use of the MCTDH (DD-vMCG) package

15:2315:23, 24 April 2013 diff hist −515 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/run →List of questions asked by dd_generator
15:2115:21, 24 April 2013 diff hist −21 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/run →List of questions asked by dd_generator
15:0915:09, 24 April 2013 diff hist −2 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/run →Creating the Directories
14:5114:51, 24 April 2013 diff hist +17 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/run →back
14:5014:50, 24 April 2013 diff hist +40,203 N Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/run Created page with "= '''Basic use of the MCTDH (DD-vMCG) package''' = A script called dd_generator uses GAUSSIAN output files and user input to write the input files for mctdh (DD-vMCG). '''Note..."
14:4814:48, 24 April 2013 diff hist +25 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/rotation →dd_rotation method current
14:4714:47, 24 April 2013 diff hist +17 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/input →back current
14:3814:38, 24 April 2013 diff hist −1 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/rotation →dd_rotation method
14:2214:22, 24 April 2013 diff hist −1 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/input →Gaussian Calculations - CASSCF
14:2214:22, 24 April 2013 diff hist +11 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/input →Gaussian Calculations - CASSCF
14:2114:21, 24 April 2013 diff hist +291 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/input →Gaussian Calculations - CASSCF
14:1114:11, 24 April 2013 diff hist 0 File:Coin.gjf uploaded a new version of "File:Coin.gjf" current
14:1014:10, 24 April 2013 diff hist +1 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/rotation →dd_rotation method
14:1014:10, 24 April 2013 diff hist +1 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/rotation →dd_rotation method
14:0914:09, 24 April 2013 diff hist +6 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/rotation →dd_rotation method
14:0914:09, 24 April 2013 diff hist +21 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/rotation →Rotation of the Conical Intersection
14:0614:06, 24 April 2013 diff hist +1,925 N Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/rotation Created page with "= Rotation of the Conical Intersection= Dynamics are performed in internal coordinates, so it is necessary to remove any translations or rotational components in the starting an..."
13:5113:51, 24 April 2013 diff hist 0 N File:Coin.dat No edit summary current
13:4213:42, 24 April 2013 diff hist 0 File:Start.log uploaded a new version of "File:Start.log" current
13:2713:27, 24 April 2013 diff hist +8 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/input →7. Optimise the Conical Intersection
13:1613:16, 24 April 2013 diff hist −3 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/input →4. Perform a CASSCF Optimisation on the Ground State with the State Averaged Orbitals
13:1613:16, 24 April 2013 diff hist +4 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/input →7. Optimise the Conical Intersection
13:1513:15, 24 April 2013 diff hist −12 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/input →7. The Conical Intersection
13:1013:10, 24 April 2013 diff hist −123 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/input →7. The Conical Intersection
10:0010:00, 24 April 2013 diff hist −7 Resgrp:comp-photo-dyn/mctdh90.56dv Fulvene Tutorial/input →7. The Conical Intersection

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