User contributions for Carl McBride
A user with 9,509 edits. Account created on 15 February 2007.
11 July 2008
- 15:3615:36, 11 July 2008 diff hist +101 m TIP4P/Ice model of water →Parameters: Added internal links
- 14:5114:51, 11 July 2008 diff hist +1,761 N GROMACS files for the TIP4P/2005 model New page: The following is a topology file for the TIP4P/2005 model of water for use in the GROMACS computer simulation package. The best way to use this file is to click on the edit tab...
- 14:4614:46, 11 July 2008 diff hist +44 m DL POLY FIELD file for the TIP4P/2005 model Added categories current
- 14:4414:44, 11 July 2008 diff hist +682 N DL POLY FIELD file for the TIP4P/2005 model New page: The following is a FIELD file for the TIP4P/2005 model of water for use in the DL_POLY computer simulation package. Water TIP4P/2005 UNITS kcal molecular types 1 TIP4P/...
- 14:4114:41, 11 July 2008 diff hist +103 TIP4P/2005 model of water Added internal links
- 12:0412:04, 11 July 2008 diff hist +1,810 m Path integral formulation Added some references.
- 11:3211:32, 11 July 2008 diff hist +247 m Mie potential →(14,7) model: Added a new reference
- 10:3110:31, 11 July 2008 diff hist 0 m Conferences Update w.r.t. date
- 10:3010:30, 11 July 2008 diff hist +201 m Conferences →2009
- 10:0310:03, 11 July 2008 diff hist 0 m EPEN/2 model of water Corrected spelling.
10 July 2008
- 17:0017:00, 10 July 2008 diff hist +146 m Talk:Wang-Landau method →Fulfil or Fulfill: Smiley current
- 16:4716:47, 10 July 2008 diff hist +206 m Talk:Wang-Landau method New section: Fulfil or Fulfill
- 16:3516:35, 10 July 2008 diff hist +596 Nm CI model of water New page: {{Stub-water}} The '''configuration interaction''' model for water (CI). ==References== #[http://dx.doi.org/10.1063/1.432402 O. Matsuoka, E. Clementi, and M. Yoshimine "CI study of the...
- 16:2616:26, 10 July 2008 diff hist +226 m EPEN/2 model of water →References: Added another reference.
- 16:2316:23, 10 July 2008 diff hist +529 N EPEN/2 model of water New page: {{Stub-water}} The '''EPEN/2''' ('''E'''mpirical '''P'''otential based on the interactions of '''E'''lactrons and '''N'''uclei) model for water. ==References== #[http://dx.doi.org/10.1...
- 16:1716:17, 10 July 2008 diff hist +373 Nm TIPS model of water New page: {{Stub-water}} ==References== #[http://dx.doi.org/10.1021/ja00392a016 William L. Jorgensen "Quantum and statistical mechanical studies of liquids. 10. Transferable intermolecular potential...
- 16:1516:15, 10 July 2008 diff hist +18 List of empirical water models No edit summary
- 16:1416:14, 10 July 2008 diff hist +9 m List of empirical water models →C
- 15:3815:38, 10 July 2008 diff hist +980 m Liquid phase density maximum Added TIP4P/2005 data
- 15:2515:25, 10 July 2008 diff hist +218 m Liquid phase density maximum →Water: save and continue...
- 14:4814:48, 10 July 2008 diff hist +598 N TIP5P-E model of water New page: {{Stub-water}} The '''TIP5P-E''' model is a version of the TIP5P model, re-parameterised for use with Ewald sums. The following table of parameters is taken from Ref. 1 Table I. :{...
- 14:3914:39, 10 July 2008 diff hist +13 m List of empirical water models →T: Added an internal link
- 14:3714:37, 10 July 2008 diff hist +147 Liquid phase density maximum →Water: save and continue...
- 14:1914:19, 10 July 2008 diff hist +10 m List of empirical water models →T: Added an internal link.
- 14:1714:17, 10 July 2008 diff hist +1,393 m Liquid phase density maximum A first save.
- 13:4613:46, 10 July 2008 diff hist +253 Nm TIPS2 model of water New page: {{Stub-water}} ==References== #[http://dx.doi.org/10.1063/1.444325 William L. Jorgensen "Revised TIPS for simulations of liquid water and aqueous solutions", Journal of Chemical Physics ''...
- 13:2613:26, 10 July 2008 diff hist −1 m Wang-Landau method →Extensions: Spelling correction.
- 13:2613:26, 10 July 2008 diff hist −1 m Wang-Landau method →Extensions: Added an internal link.
- 13:2113:21, 10 July 2008 diff hist +513 N Liquid phase density maximum New page: {{Stub-general}} ==Water== ==References== #[http://dx.doi.org/10.1063/1.467029 S. R. Billeter, P. M. King, and W. F. van Gunsteren "Can the density maximum of water be found by computer si...
- 12:3412:34, 10 July 2008 diff hist +34 m Water Added link to a new page
9 July 2008
- 17:1117:11, 9 July 2008 diff hist +169 m Gallium →References: Added a reference
- 16:1216:12, 9 July 2008 diff hist +16 m TIP4P/2005 model of water →Self-diffusion coefficient: Added internal link.
- 16:0416:04, 9 July 2008 diff hist +525 TIP4P/2005 model of water Added self-diffusion coefficient
- 15:1415:14, 9 July 2008 diff hist +90 m Researchers and research groups →United States of America
- 13:4113:41, 9 July 2008 diff hist +229 Nm Gallium New page: {{stub-general}} ==References== #[http://dx.doi.org/10.1063/1.2948950 K. H. Tsai and Ten-Ming Wu "Hard-sphere perturbation theory for a model of liquid Ga", Journal of Chemical Physics '''...
- 13:3813:38, 9 July 2008 diff hist +13 m Realistic models →Miscellaneous atomic and molecular liquids: Added internal link to Gallium
- 13:3513:35, 9 July 2008 diff hist +364 m Wolf method No edit summary
- 09:3709:37, 9 July 2008 diff hist +204 N Talk:Wang-Landau method New page: Can I ask what this equation means?: <math> P(E) \simeq cte </math> --~~~~
- 09:3509:35, 9 July 2008 diff hist +42 m Wang-Landau method →Sketches of the method: Slight tidy.
8 July 2008
- 16:4416:44, 8 July 2008 diff hist +3 m Heat capacity Changed some equals for definitions.
- 13:1713:17, 8 July 2008 diff hist +396 Talk:Wolf method No edit summary
- 13:0713:07, 8 July 2008 diff hist +531 Talk:Wolf method No edit summary
- 12:5712:57, 8 July 2008 diff hist +153 m Talk:Wolf method No edit summary
- 10:1910:19, 8 July 2008 diff hist +321 m Heat capacity Slight tidy
- 10:0010:00, 8 July 2008 diff hist +89 m Researchers and research groups →Israel
7 July 2008
- 14:4614:46, 7 July 2008 diff hist +227 m Idealised models →Lattice models: Added link to Baxter book.
- 14:3814:38, 7 July 2008 diff hist +176 m Ising model →2-dimensional Ising model: Added a reference
- 14:0814:08, 7 July 2008 diff hist +30 m Ashkin-Teller model Added a See also section. current
- 13:5613:56, 7 July 2008 diff hist +44 m Ising model Added the name spins.
- 13:4913:49, 7 July 2008 diff hist +116 m Ising model Added a See also section.