User contributions for Francesco

30 May 2016

• 10:3110:31, 30 May 2016 diff hist +41 NEEMP:Options No edit summary
• 10:3010:30, 30 May 2016 diff hist +35 NEEMP:Options No edit summary
• 10:2910:29, 30 May 2016 diff hist +179 NEEMP:Examples No edit summary
• 10:2410:24, 30 May 2016 diff hist +80 NEEMP:Modes →Info (-m info)
• 10:2010:20, 30 May 2016 diff hist 0 NEEMP:Examples →Example 1 - Info mode
• 10:2010:20, 30 May 2016 diff hist +15 NEEMP:Examples →Example 1 - Info mode
• 10:1810:18, 30 May 2016 diff hist −35 NEEMP:Examples →Example 1
• 10:1210:12, 30 May 2016 diff hist +254 NEEMP:Examples →Example 1
• 08:5408:54, 30 May 2016 diff hist −3 NEEMP:Examples No edit summary
• 08:5208:52, 30 May 2016 diff hist −17 NEEMP:Examples →Example 1
• 08:4908:49, 30 May 2016 diff hist +16 NEEMP:Examples →Example 1
• 08:4908:49, 30 May 2016 diff hist +2 NEEMP:Examples No edit summary
• 08:4708:47, 30 May 2016 diff hist −1 NEEMP:Examples →Example 1
• 08:4708:47, 30 May 2016 diff hist 0 NEEMP:Examples →Example 1
• 08:4708:47, 30 May 2016 diff hist +2 NEEMP:Examples →Example 1
• 08:4608:46, 30 May 2016 diff hist +1 NEEMP:Examples →Example 1
• 08:4508:45, 30 May 2016 diff hist +171 NEEMP:Examples →Example 1
• 08:4008:40, 30 May 2016 diff hist +218 N NEEMP:Examples Created page with " This section shows several use case examples. All of them use only data from ''examples'' directory. =Example 1= =Example 2= =Example 3= =Example 4= =Example 5= =Exampl..."
• 08:3708:37, 30 May 2016 diff hist +12 NEEMP:UserManual →EEM parameters computation
• 08:3708:37, 30 May 2016 diff hist +331 NEEMP:Parametrization →Statistics computation current
• 08:3108:31, 30 May 2016 diff hist +150 NEEMP:parametrization No edit summary current
• 08:3108:31, 30 May 2016 diff hist −150 NEEMP:parametrization Blanked the page
• 08:3008:30, 30 May 2016 diff hist +150 N NEEMP:Parametrization Created page with "=k settings= =Discarding= ==Simple discarding== ==Iterative discarding== =Other options= =Miscellaneous= =Parallelism= =Statistics computation="
• 08:2908:29, 30 May 2016 diff hist 0 NEEMP:UserManual →EEM parameters computation
• 08:2808:28, 30 May 2016 diff hist −8 NEEMP:parametrization No edit summary
• 08:2408:24, 30 May 2016 diff hist +158 N NEEMP:parametrization Created page with "=k settings= =Discarding= ====Simple discarding==== ====Iterative discarding==== =Other options= =Miscellaneous= =Parallelism= =Statistics computation="

29 May 2016

• 13:1513:15, 29 May 2016 diff hist −9 NEEMP:files →CHG file
• 13:1313:13, 29 May 2016 diff hist +402 NEEMP:files →CHG file
• 13:0213:02, 29 May 2016 diff hist +355 NEEMP:files →CHG file
• 12:3812:38, 29 May 2016 diff hist +1 NEEMP:UserManual →Used file formats
• 12:2312:23, 29 May 2016 diff hist −2 NEEMP:files →PAR file
• 12:2012:20, 29 May 2016 diff hist +735 NEEMP:files →PAR file
• 12:1212:12, 29 May 2016 diff hist +221 NEEMP:files →PAR file
• 11:1811:18, 29 May 2016 diff hist −5 NEEMP:files →SDF file
• 11:1611:16, 29 May 2016 diff hist +189 NEEMP:files →SDF file
• 11:1011:10, 29 May 2016 diff hist −77 NEEMP:files →SDF file
• 11:0811:08, 29 May 2016 diff hist +26 NEEMP:files →SDF file
• 11:0711:07, 29 May 2016 diff hist +140 NEEMP:files →SDF file
• 11:0611:06, 29 May 2016 diff hist 0 N File:Sdf file.png No edit summary current
• 10:5710:57, 29 May 2016 diff hist −1 NEEMP:files No edit summary
• 10:5310:53, 29 May 2016 diff hist +16 NEEMP:files No edit summary
• 10:5210:52, 29 May 2016 diff hist +548 NEEMP:files →SDF file
• 10:2610:26, 29 May 2016 diff hist +36 NEEMP:files No edit summary
• 10:1610:16, 29 May 2016 diff hist +438 N NEEMP:files Created page with "'''NEEMP''' uses 3 types of input files. '''SDF''' files contain structural information about the molecules, i.e. positions of atoms and bonding information; '''CHG''' files c..."
• 09:4109:41, 29 May 2016 diff hist +13 NEEMP:UserManual →Modes

28 May 2016

• 18:1718:17, 28 May 2016 diff hist −4 NEEMP:Modes →Charges (-m charges)
• 18:1518:15, 28 May 2016 diff hist −1 NEEMP:Modes →Charges (-m charges)
• 18:1518:15, 28 May 2016 diff hist −1 NEEMP:Modes →Cover (-m cover)
• 18:1418:14, 28 May 2016 diff hist 0 NEEMP:Modes →Charges (-m charges)
• 18:1318:13, 28 May 2016 diff hist +64 NEEMP:Modes →Charges (-m charges)