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rgl_potential [2010/10/04 13:45]
zdech
rgl_potential [2010/10/04 13:48]
zdech
Line 79: Line 79:
  
 ==Total energy== ​ ==Total energy== ​
-Without cutoff/with cutoff: -42.245639500986748/​-42.032105248784468 +Type of program: ​Without cutoff/with cutoff
-Riccardo Ferrando'​s code :  -42.245638799182252/​-42.093188075082516+
  
-geometry+Fireball           ​-42.245639500986748/​-42.032105248784468 
-fireball:+ 
 +R.Ferrando'​s code :  -42.245638799182252/​-42.093188075082516 
 + 
 +==Geometry:​== 
 +==fireball:==
   13   13
   46    -1.56048 ​   -0.66307 ​    ​4.46770   46    -1.56048 ​   -0.66307 ​    ​4.46770
Line 99: Line 102:
   46    -2.21423 ​    ​1.80357 ​    ​4.60014   46    -2.21423 ​    ​1.80357 ​    ​4.60014
  
-R.Ferrando'​s code:+==R.Ferrando'​s code:==
   13   13
   Pd Pd  -42.093188075082516   Pd Pd  -42.093188075082516
rgl_potential.txt · Last modified: 2011/02/18 13:13 (external edit)