User contributions for Callan
13 January 2009
- 17:3117:31, 13 January 2009 diff hist +17 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 17:1417:14, 13 January 2009 diff hist +450 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 16:3916:39, 13 January 2009 diff hist +25 m Resgrp:comp-photo-dyn/mctdh90dev/rotation →Rotation of the Conical Intersection current
18 December 2008
- 10:3110:31, 18 December 2008 diff hist +20 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 10:2910:29, 18 December 2008 diff hist −2 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 10:1410:14, 18 December 2008 diff hist +547 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 09:4909:49, 18 December 2008 diff hist +326 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 09:3809:38, 18 December 2008 diff hist +597 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 09:2609:26, 18 December 2008 diff hist +161 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
15 December 2008
- 18:5618:56, 15 December 2008 diff hist −1 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 18:5518:55, 15 December 2008 diff hist −1 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 18:5518:55, 15 December 2008 diff hist 0 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 18:5318:53, 15 December 2008 diff hist 0 N File:Start.jpg No edit summary current
- 18:5218:52, 15 December 2008 diff hist +2 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 18:5018:50, 15 December 2008 diff hist 0 N File:Buta.jpg No edit summary current
- 18:4918:49, 15 December 2008 diff hist 0 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 18:4718:47, 15 December 2008 diff hist 0 N File:Buta.tif No edit summary current
- 18:4418:44, 15 December 2008 diff hist +20 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 18:4118:41, 15 December 2008 diff hist 0 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 17:4117:41, 15 December 2008 diff hist −5 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 17:0417:04, 15 December 2008 diff hist +537 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 15:3415:34, 15 December 2008 diff hist −12 m Resgrp:comp-photo-dyn/mctdh90dev/run →List of questions
- 15:3415:34, 15 December 2008 diff hist +195 m Resgrp:comp-photo-dyn/mctdh90dev/run →List of questions
- 15:2715:27, 15 December 2008 diff hist −7 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Some modifications must be made to the files before running the dynamics.'''
- 15:2615:26, 15 December 2008 diff hist +59 m Resgrp:comp-photo-dyn/mctdh90dev/run →List of questions
- 15:2315:23, 15 December 2008 diff hist +1 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Some modifications must be made to the files before running the dynamics.'''
- 15:2215:22, 15 December 2008 diff hist −105 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Some modifications must be made to the files before running the dynamics.'''
- 15:2115:21, 15 December 2008 diff hist +37 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Files created by the generator.'''
- 15:1615:16, 15 December 2008 diff hist −29 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''The Generator'''
- 15:1315:13, 15 December 2008 diff hist +5 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 15:1315:13, 15 December 2008 diff hist +89 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 11:3111:31, 15 December 2008 diff hist +23 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 11:3111:31, 15 December 2008 diff hist +4 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 11:2911:29, 15 December 2008 diff hist −83 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Creating the Directories'''
12 December 2008
- 19:0019:00, 12 December 2008 diff hist +183 Resgrp:comp-photo-dyn/mctdh90dev/run →List of questions
- 18:5618:56, 12 December 2008 diff hist −287 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 18:5218:52, 12 December 2008 diff hist +1 m Resgrp:comp-photo-dyn/mctdh90dev/run →'''Creating the Directories'''
- 18:5118:51, 12 December 2008 diff hist +78 m Resgrp:comp-photo-dyn/mctdh90dev/rotation →3) Note the three angles in K3, K4 and K5 (these are required as part of the input for MCTDH)
- 18:5018:50, 12 December 2008 diff hist +97 m Resgrp:comp-photo-dyn/mctdh90dev/rotation No edit summary
- 18:4818:48, 12 December 2008 diff hist +404 m Resgrp:comp-photo-dyn/mctdh90dev/rotation No edit summary
- 18:3918:39, 12 December 2008 diff hist 0 N File:Cis-butadiene XQ-transform1.xls No edit summary current
- 18:3918:39, 12 December 2008 diff hist +29 m Resgrp:comp-photo-dyn/mctdh90dev/rotation No edit summary
- 18:2018:20, 12 December 2008 diff hist 0 N File:Buta-dis14570ci.log No edit summary current
- 18:1918:19, 12 December 2008 diff hist 0 N File:Buta-dis14570ci.gjf No edit summary current
- 18:1918:19, 12 December 2008 diff hist +16 m Resgrp:comp-photo-dyn/mctdh90dev/input →7b. Optimise the Conical Intersection current
- 18:1718:17, 12 December 2008 diff hist −81 m Resgrp:comp-photo-dyn/mctdh90dev/input No edit summary
- 17:4717:47, 12 December 2008 diff hist −690 m Resgrp:comp-photo-dyn/mctdh90dev/input No edit summary
- 17:4517:45, 12 December 2008 diff hist −68 m Resgrp:comp-photo-dyn/mctdh90dev/input →7b. Calculate the frequencies
10 December 2008
- 16:4416:44, 10 December 2008 diff hist 0 N File:Butafcfreq.log No edit summary current
- 16:4416:44, 10 December 2008 diff hist 0 N File:Butafcfreq.gjf No edit summary current