User contributions for Tbouchal
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21 July 2015
- 14:3414:34, 21 July 2015 diff hist +263 References No edit summary
15 June 2015
- 11:1311:13, 15 June 2015 diff hist −27 Ring Puckering No edit summary
- 11:1311:13, 15 June 2015 diff hist +27 Ring Puckering No edit summary
- 10:0810:08, 15 June 2015 diff hist +21 CV:PUCK5P No edit summary current
- 10:0810:08, 15 June 2015 diff hist +21 CV:PUCK5Q No edit summary current
- 10:0810:08, 15 June 2015 diff hist +21 CV:PUCK6T No edit summary current
- 10:0710:07, 15 June 2015 diff hist −82 CV:PUCK6P No edit summary current
- 10:0710:07, 15 June 2015 diff hist +103 CV:PUCK6P No edit summary
- 10:0610:06, 15 June 2015 diff hist +1 CV:PUCK6Q No edit summary current
- 10:0410:04, 15 June 2015 diff hist 0 Ring Puckering No edit summary
- 10:0110:01, 15 June 2015 diff hist +36 m Ring Puckering No edit summary
- 09:5409:54, 15 June 2015 diff hist +6 Ring Puckering No edit summary
- 09:5309:53, 15 June 2015 diff hist +23 Ring Puckering No edit summary
11 June 2015
- 14:1414:14, 11 June 2015 diff hist 0 CV:EGAP No edit summary current
- 14:1414:14, 11 June 2015 diff hist 0 CV:POT No edit summary current
- 14:1414:14, 11 June 2015 diff hist +2 CV:POT No edit summary
9 June 2015
- 15:1015:10, 9 June 2015 diff hist +282 CV:CNGSW No edit summary current
- 15:0815:08, 9 June 2015 diff hist +1,082 N CV:PLANE Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:PLANE ---- {{CVS}} ===Definition=== The root-mean square distance of atoms to the plane tha..." current
- 15:0815:08, 9 June 2015 diff hist +1,070 N CV:RMSDT Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:RMSDT ---- {{CVS}} ===Definition=== The root mean square deviation of the structure fitted..." current
- 15:0715:07, 9 June 2015 diff hist +1,305 N CV:PMOGT Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:PMOGT ---- {{CVS}} ===Definition=== The selected principal moment of the mass weighted gyra..." current
- 15:0715:07, 9 June 2015 diff hist +1,402 N CV:PMGTD Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:PMGTD ---- {{CVS}} ===Definition=== The difference between two principal moments of the mas..." current
- 15:0615:06, 9 June 2015 diff hist +1,154 N CV:EVEC Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:EVEC ---- {{CVS}} ===Definition=== The projection of atom configuration onto the essential..." current
- 15:0515:05, 9 June 2015 diff hist +746 N CV:RGYR Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:RGYR ---- {{CVS}} ===Definition=== The radius of gyration of atoms in the group '''A'''. <c..." current
- 15:0515:05, 9 June 2015 diff hist +1,551 N CV:SANIS Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:SANIS ---- {{CVS}} ===Definition=== The relative shape anisotropy of atoms in the group '''..." current
- 15:0415:04, 9 June 2015 diff hist +1,307 N CV:ASPH Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:ASPH ---- {{CVS}} ===Definition=== The asphericity of atom distribution in the group '''A''..." current
- 15:0315:03, 9 June 2015 diff hist +1,281 N CV:ACYL Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:ACYL ---- {{CVS}} ===Definition=== The acylindricity of atom distribution in the group '''A..." current
- 15:0215:02, 9 June 2015 diff hist +1,979 N CV:PUCK5Q Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:PUCK5Q ---- {{CVS}} ===Definition=== Total puckering amplitude is defined as: <center><math..."
- 15:0115:01, 9 June 2015 diff hist +2,306 N CV:PUCK5P Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:PUCK5P ---- {{CVS}} ===Definition=== Puckering azimuthal angle of five-membered ring is def..."
- 15:0015:00, 9 June 2015 diff hist +2,104 N CV:PUCK6Q Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:PUCK6Q ---- {{CVS}} ===Definition=== The total puckering amplitude is defined as: <center><..."
- 14:5914:59, 9 June 2015 diff hist +2,425 N CV:PUCK6P Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:PUCK6P ---- {{CVS}} ===Definition=== Puckering azimuthal angle of six-membered ring is defi..."
- 14:5814:58, 9 June 2015 diff hist +2,339 N CV:PUCK6T Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:PUCK6T ---- {{CVS}} ===Definition=== Puckering polar angle of six-membered ring is defined..."
- 14:5514:55, 9 June 2015 diff hist +69 N CV:EGAP Created page with "Navigation: Documentation / Collective variables ---- {{CVS}}"
- 14:5414:54, 9 June 2015 diff hist +556 N CV:POT Created page with "__NOEDITSECTION__ Navigation: Documentation / User documentation / CV:POT ---- {{CVS}} ===Definition=== The potential energy of the system. This energy does not in..."
- 14:5314:53, 9 June 2015 diff hist +678 N CV:ADD Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:ADD ---- {{CVS}} ===Definition=== The sum of two collective variables. <center><math>\xi =..." current
- 14:5214:52, 9 June 2015 diff hist 0 CV:MULT No edit summary current
- 14:5214:52, 9 June 2015 diff hist 0 CV:SUB No edit summary current
- 14:5214:52, 9 June 2015 diff hist +690 N CV:SUB Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective variables / CV:SUB ---- {{CVS}} ===Definition=== The differnece between two collective variables. <center..."
- 14:5114:51, 9 June 2015 diff hist +684 N CV:MULT Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective variables / CV:MULT ---- {{CVS}} ===Definition=== The product of two collective variables. <center><math>..."
- 14:5014:50, 9 June 2015 diff hist +718 N CV:DIV Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:DIV ---- {{CVS}} ===Definition=== The ratio between two collective variables. <center><mat..." current
- 14:4714:47, 9 June 2015 diff hist +1,562 N CV:CNGRF Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:CNGRF ---- {{CVS}} ===Definition=== The coordination numbers of the point '''A''' with resp..." current
- 14:4514:45, 9 June 2015 diff hist +1,284 N CV:CNRF Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:CNRF ---- {{CVS}} ===Definition=== The sum of coordination numbers of atoms from the group..." current
- 14:4414:44, 9 June 2015 diff hist +1,089 N CV:CNGSW Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:CNSW ---- {{CVS}} ===Definition=== The sum of coordination numbers of atoms from the group..."
- 14:4214:42, 9 June 2015 diff hist +1,089 N CV:CNSW Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:CNSW ---- {{CVS}} ===Definition=== The sum of coordination numbers of atoms from the group..." current
- 14:4114:41, 9 June 2015 diff hist +1,360 N CV:CNGFF Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:CNGFF ---- {{CVS}} ===Definition=== The coordination number of central point '''A''' with r..." current
- 14:4014:40, 9 June 2015 diff hist +1,079 N CV:CNFF Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:CNFF ---- {{CVS}} ===Definition=== The sum of coordination numbers of atoms from the group..." current
- 14:3114:31, 9 June 2015 diff hist +2,016 N CV:PVANG Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:PVANG ---- {{CVS}} ===Definition=== The angle between the normal vector of the plane '''A''..." current
- 14:2914:29, 9 June 2015 diff hist +2,459 N CV:PANG Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:PANG ---- {{CVS}} ===Definition=== The angle between two normal plane vectors. <center><ma..." current
- 14:2814:28, 9 June 2015 diff hist +1,654 N CV:DIH Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:DIH ---- {{CVS}} ===Definition=== The dihedral angle among four points. Each point is calcu..." current
- 14:2314:23, 9 June 2015 diff hist +1,936 N CV:AXANG Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:AXANG ---- {{CVS}} ===Definition=== The angle between two axes of two principal moments of..."
- 14:2214:22, 9 June 2015 diff hist +1,312 N CV:ANG Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:ANG ---- {{CVS}} ===Definition=== The angle among three points. Each point is calculated as..." current