User contributions for Callan
11 January 2013
- 11:1111:11, 11 January 2013 diff hist −1 Resgrp:comp-photo-dyn/mctdh90.56dv/run →List of questions asked by dd_gennerator current
19 September 2012
- 16:1116:11, 19 September 2012 diff hist +60 Resgrp:comp-photo-dyn/mctdh90.56dv/run →Files created by the generator
- 16:1116:11, 19 September 2012 diff hist +147 Resgrp:comp-photo-dyn/mctdh90.56dv/run →Files created by the generator
- 16:0916:09, 19 September 2012 diff hist +76 Resgrp:comp-photo-dyn/mctdh90.56dv/run →Gaussian Output to be Used as Input for the Dynamics Program
- 16:0716:07, 19 September 2012 diff hist 0 Resgrp:comp-photo-dyn/mctdh90.56dv/input →6. Calculate the (High Precision) Vibrational Modes for the Ground State with State Averaged Orbitals
- 16:0716:07, 19 September 2012 diff hist +92 Resgrp:comp-photo-dyn/mctdh90.56dv/input →6. Calculate the (High Precision) Vibrational Modes for the Ground State with State Averaged Orbitals
5 May 2009
- 17:2017:20, 5 May 2009 diff hist +87 m Resgrp:comp-photo-dyn/mctdh90.31dv/run →'''The Database (DB)''' current
- 14:2214:22, 5 May 2009 diff hist +61 m Resgrp:comp-photo-dyn →[[Resgrp:comp-photo-dyn/mctdh90.31dv|mctdh90.31dv]]
6 April 2009
- 11:4311:43, 6 April 2009 diff hist 0 N File:Ircvector.log No edit summary current
- 11:4211:42, 6 April 2009 diff hist 0 N File:Ircvector.gjf No edit summary current
- 11:4211:42, 6 April 2009 diff hist +50 m Resgrp:comp-photo-calculations →IRC calculations in which the vector to follow is specified by the user current
3 April 2009
- 13:3913:39, 3 April 2009 diff hist +273 Resgrp:comp-photo-dyn/mctdh90.31dv/run →Starting from a point other than the Franck-Condon point
25 March 2009
- 12:3612:36, 25 March 2009 diff hist +1 m Resgrp:comp-photo-CHD →Viewing the normal modes and frequencies of the seam (or the normal modes and frequencies of the energy difference or of the bilinear coupling) current
24 March 2009
- 13:0013:00, 24 March 2009 diff hist +369 m Resgrp:comp-photo-calculations →IRC calculations in which the vector to follow is specified by the user
- 12:5512:55, 24 March 2009 diff hist +180 m Resgrp:comp-photo-calculations →IRC calculations in which the vector to follow is specified by the user
- 12:5112:51, 24 March 2009 diff hist +585 m Resgrp:comp-photo-calculations →IRC calculations in which the vector to follow is specified by the user
- 12:4712:47, 24 March 2009 diff hist +72 m Resgrp:comp-photo-calculations →IRC calculations in which the vector to follow is specified by the user
- 12:4212:42, 24 March 2009 diff hist +35 m Resgrp:comp-photo-calculations →IRC calculations in which the vector to follow is specified by the user
- 11:5911:59, 24 March 2009 diff hist +236 m Resgrp:comp-photo-calculations →IRC calculations in which the vector to follow is specified by the user
- 11:5611:56, 24 March 2009 diff hist +540 m Resgrp:comp-photo-calculations →IRC calculations in which the vector to follow is specified by the user
- 11:4911:49, 24 March 2009 diff hist +314 m Resgrp:comp-photo-calculations No edit summary
- 11:4511:45, 24 March 2009 diff hist +12 Resgrp:comp-photo-calculations →Calculating and viewing the normal modes and frequencies of the energy difference; the modes of the seam; and the modes of the bilinear coupling
- 11:4511:45, 24 March 2009 diff hist +130 m Resgrp:comp-photo-calculations →Calculating and viewing the normal modes and frequencies of the energy difference; the modes of the seam; and the modes of the bilinear coupling
- 11:3911:39, 24 March 2009 diff hist −4 m Resgrp:comp-photo-CHD →Viewing the normal modes and frequencies of the seam (or the normal modes and frequencies of the energy difference or of the bilinear coupling)
- 11:3811:38, 24 March 2009 diff hist +4 m Resgrp:comp-photo-CHD →Viewing the normal modes and frequencies of the seam (or the normal modes and frequencies of the energy difference or of the bilinear coupling)
- 11:3711:37, 24 March 2009 diff hist +15 m Resgrp:comp-photo-CHD →Viewing the normal modes and frequencies of the energy difference; the modes of the seam; and the modes of the bilinear coupling
- 11:3511:35, 24 March 2009 diff hist 0 N File:Template.log No edit summary current
- 11:3411:34, 24 March 2009 diff hist +25 m Resgrp:comp-photo-CHD →Viewing the normal modes and frequencies of the energy difference; the modes of the seam; and the modes of the bilinear coupling
- 11:3411:34, 24 March 2009 diff hist 0 N File:Freq scripts.zip No edit summary current
- 11:3311:33, 24 March 2009 diff hist +27 m Resgrp:comp-photo-CHD →Viewing the normal modes and frequencies of the energy difference; the modes of the seam; and the modes of the bilinear coupling
- 11:3111:31, 24 March 2009 diff hist +2 m Resgrp:comp-photo-CHD No edit summary
- 11:3011:30, 24 March 2009 diff hist +1,664 m Resgrp:comp-photo-CHD →Computation of the Intersection Space Minimum Energy Path (MEP)
- 11:2911:29, 24 March 2009 diff hist +67 m Resgrp:comp-photo-CHD No edit summary
- 11:2811:28, 24 March 2009 diff hist +253 m Resgrp:comp-photo-calculations →Viewing the normal modes and frequencies of the energy difference; the modes of the seam; and the modes of the bilinear coupling
- 11:2611:26, 24 March 2009 diff hist +1,322 m Resgrp:comp-photo-calculations →Viewing the normal modes and frequencies of the energy difference; the modes of the seam; and the modes of the bilinear coupling
- 11:2111:21, 24 March 2009 diff hist +409 m Resgrp:comp-photo-calculations No edit summary
- 11:0611:06, 24 March 2009 diff hist +20 m Resgrp:comp-photo-dyn/mctdh90.31dv/run →'''Basic use of the MCTDH package'''
- 11:0311:03, 24 March 2009 diff hist +639 m Resgrp:comp-photo-dyn/mctdh90.31dv/input →MCTDH versions current
- 10:4910:49, 24 March 2009 diff hist +397 m Resgrp:comp-photo-dyn/mctdh90.31dv/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
- 10:4110:41, 24 March 2009 diff hist +273 m Resgrp:comp-photo-dyn/mctdh90.31dv/run →'''Gaussian Output to be Used as Input for the Dynamics Program'''
27 February 2009
- 16:3716:37, 27 February 2009 diff hist +57 m Resgrp:comp-photo-dyn/mctdh90.31dv/run →'''Current Known Bugs'''
- 16:3716:37, 27 February 2009 diff hist +187 m Resgrp:comp-photo-dyn/mctdh90.31dv/run →'''Current Known Bugs'''
- 16:2916:29, 27 February 2009 diff hist +247 m Resgrp:comp-photo-dyn/mctdh90.31dv/run →'''Questions and Modifications to be made to this wiki'''
- 11:4411:44, 27 February 2009 diff hist +167 m Resgrp:comp-photo-CHD →Computation of Intersection-Space Frequencies
13 February 2009
- 11:3211:32, 13 February 2009 diff hist −3 m Resgrp:comp-photo-dyn/mctdh90.31dv/run →'''Modifications to be made to the files before running the dynamics'''
12 February 2009
- 11:2311:23, 12 February 2009 diff hist +205 m Resgrp:comp-photo-dyn/mctdh90.31dv/run →'''Current Known Bugs'''
11 February 2009
- 17:0517:05, 11 February 2009 diff hist −23 m Resgrp:comp-photo-dyn/mctdh90.31dv/input →'''4. Perform a CASSCF Optimisation on the Ground State with the State Averaged Orbitals'''
10 February 2009
- 15:3215:32, 10 February 2009 diff hist +2 m Resgrp:comp-photo-dyn/mctdh90.31dv/run →'''Basic use of the MCTDH package'''
- 15:3215:32, 10 February 2009 diff hist +6 m Resgrp:comp-photo-dyn/mctdh90.31dv/run →'''Basic use of the MCTDH package'''
- 15:3215:32, 10 February 2009 diff hist −1 m Resgrp:comp-photo-dyn/mctdh90.31dv/run →'''Basic use of the MCTDH package: Notes'''