User contributions for 10.0.7.7

11 March 2025

• 14:5414:54, 11 March 2025 diff hist +19 Núria López and Group →New members start here
• 14:5314:53, 11 March 2025 diff hist +174 N The Morandi-Loveday method New page: Breaking things is simpler than building them. This empirical principle is at the core of the algorithm used to automatically listing elementary reactions in CARE. Read CARE. current
• 14:5214:52, 11 March 2025 diff hist −5 Microkinetic model No edit summary current
• 14:5114:51, 11 March 2025 diff hist +12 Steps in case tekla2 fails No edit summary current
• 14:4814:48, 11 March 2025 diff hist +14 Steps in case tekla2 fails No edit summary
• 14:4814:48, 11 March 2025 diff hist +80 Steps in case tekla2 fails No edit summary
• 14:4014:40, 11 March 2025 diff hist +13 Steps in case tekla2 fails No edit summary

10 March 2025

• 18:3118:31, 10 March 2025 diff hist +40 Núria López and Group →New members start here
• 18:3018:30, 10 March 2025 diff hist +10 Núria López and Group →Calculations with VASP
• 18:3018:30, 10 March 2025 diff hist +79 Núria López and Group →Calculations with VASP

10 November 2023

• 14:4114:41, 10 November 2023 diff hist +126 Computational Groups Seminars →'''GROUP SEMINARS'''

13 October 2021

• 10:0510:05, 13 October 2021 diff hist +25 N Steps in case tekla2 fails New page: '''Page in preparation'''
• 10:0510:05, 13 October 2021 diff hist +59 Núria López and Group →New members start here

9 May 2018

• 10:0410:04, 9 May 2018 diff hist +24 G09 →MECP calculations (Python version) current

25 April 2018

• 15:5815:58, 25 April 2018 diff hist +223 G09 →MECP calculations (Python version)

18 October 2016

• 15:3515:35, 18 October 2016 diff hist +4 Gaussview5 in local linux 64-bit machines No edit summary current
• 15:3515:35, 18 October 2016 diff hist +78 Gaussview5 in local linux 64-bit machines No edit summary

26 November 2013

• 17:3717:37, 26 November 2013 diff hist +15 RDF →Input file: preparation current

11 October 2013

• 10:0610:06, 11 October 2013 diff hist +13 RDF →x.RDF: potential, quirks and limitations
• 09:5309:53, 11 October 2013 diff hist +43 RDF No edit summary
• 09:5209:52, 11 October 2013 diff hist +4 RDF →param.dat: detailed examination
• 09:5009:50, 11 October 2013 diff hist +7 RDF →x.RDF: potential, quirks and limitations
• 09:4409:44, 11 October 2013 diff hist −7 RDF →Input file: preparation

10 October 2013

• 11:5711:57, 10 October 2013 diff hist +48 N RDF New page: * Input 640x480px
• 10:1510:15, 10 October 2013 diff hist +139 Scripts for VASP →Specific applications

10 January 2013

• 12:2112:21, 10 January 2013 diff hist +190 Scylla&charybdis.tgz →SETUP STEPS
• 12:2112:21, 10 January 2013 diff hist −193 Scylla&charybdis.tgz →RUNNING STEPS
• 12:2012:20, 10 January 2013 diff hist +192 Scylla&charybdis.tgz →RUNNING STEPS
• 12:2012:20, 10 January 2013 diff hist −192 Scylla&charybdis.tgz →REMARKS
• 12:1912:19, 10 January 2013 diff hist +192 Scylla&charybdis.tgz →REMARKS
• 12:0112:01, 10 January 2013 diff hist +17 Scylla&charybdis.tgz No edit summary
• 12:0012:00, 10 January 2013 diff hist −1 Scylla&charybdis.tgz →INSTALLATION STEPS
• 11:5911:59, 10 January 2013 diff hist +9 Scylla&charybdis.tgz →REMARKS
• 11:5811:58, 10 January 2013 diff hist +4 Scylla&charybdis.tgz →RUNNING STEPS
• 11:5711:57, 10 January 2013 diff hist +20 Scylla&charybdis.tgz →FAQ
• 11:5611:56, 10 January 2013 diff hist +2 Scylla&charybdis.tgz →FAQ
• 11:5511:55, 10 January 2013 diff hist +1 Scylla&charybdis.tgz →FAQ
• 11:5511:55, 10 January 2013 diff hist +530 Scylla&charybdis.tgz →FAQ
• 11:1111:11, 10 January 2013 diff hist +3 Scylla&charybdis.tgz →REMARKS
• 11:0911:09, 10 January 2013 diff hist +168 Scylla&charybdis.tgz →REMARKS
• 11:0711:07, 10 January 2013 diff hist +227 Scylla&charybdis.tgz →REMARKS

9 January 2013

• 14:4014:40, 9 January 2013 diff hist +10 Scripts for VASP →SCRIPTS: MOLECULAR DYNAMICS ANALYSIS
• 14:4014:40, 9 January 2013 diff hist +101 Scripts for VASP →SCRIPTS: MOLECULAR DYNAMICS ANALYSIS

22 October 2012

• 16:1116:11, 22 October 2012 diff hist +108 Scripts for VASP →SCRIPTS: FORMAT CONVERSION

12 January 2011

• 15:5515:55, 12 January 2011 diff hist +2,689 General programs No edit summary
• 14:5614:56, 12 January 2011 diff hist +3 General programs →F77 General Programs
• 14:5514:55, 12 January 2011 diff hist +848 General programs No edit summary
• 14:4014:40, 12 January 2011 diff hist +171 N General programs New page: == F77 General Program == * RADIAL DISTRIBUTION FUNCTION http://rings-code.sourceforge.net/index.php?option=com_content&view=article&id=50:rdf&catid=36:phy-chi&Itemid=58
• 14:3814:38, 12 January 2011 diff hist +77 Scripts No edit summary
• 14:3714:37, 12 January 2011 diff hist +26 Scripts →Useful scripts