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interactions:pair_potentials

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interactions:pair_potentials [2018/01/06 10:40] – ↷ Links adapted because of a move operation danielinteractions:pair_potentials [2018/09/24 17:49] (current) daniel
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 sampling points. Position and value of these sampling points are given in the file  sampling points. Position and value of these sampling points are given in the file 
 specified with the parameter ''potfile''. The format used in this file is described  specified with the parameter ''potfile''. The format used in this file is described 
-[[:potential_files|here]]. It is essential that the potential is tabulated equidistant +[[potfiles:main|here]]. It is essential that the potential is tabulated equidistant 
 in the the atom distance, not in the square (as it is done in  in the the atom distance, not in the square (as it is done in 
 [[http://imd.itap.physik.uni-stuttgart.de/|IMD]]). Note that if the potential does not  [[http://imd.itap.physik.uni-stuttgart.de/|IMD]]). Note that if the potential does not 
 extend to radii small enough to cover all pair distances appearing in the configurations,  extend to radii small enough to cover all pair distances appearing in the configurations, 
-the program will exit with an short distance error.+the program will exit with short distance error.
  
 =====  Analytic Pair Potentials  ===== =====  Analytic Pair Potentials  =====
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 In order to use analytic potentials in //potfit//, the potential function $V_2$ has to be In order to use analytic potentials in //potfit//, the potential function $V_2$ has to be
 specified by a functional name and the values of its parameters in the potential file.  specified by a functional name and the values of its parameters in the potential file. 
-The format used in this file is described [[:potential_files|here]]. With analytic potentials +The format used in this file is described [[potfiles:main|here]]. With analytic potentials 
 there is also the option to add an additional energy term to the fit, the so called chemical potential. there is also the option to add an additional energy term to the fit, the so called chemical potential.
  
 ====  Chemical Potentials  ==== ====  Chemical Potentials  ====
  
-For fitting simple pair potentials the use of the chemical potentials will always be disabled unless the ''enable_cp'' switch in the configuration file is set to 1.+For fitting simple pair potentials the use of the chemical potentials will always be disabled unless the ''enable_cp'' switch in the parameter file is set to 1.
 This option effectively adds a second energy term into the calculations, the energy will be calculated as This option effectively adds a second energy term into the calculations, the energy will be calculated as
  
interactions/pair_potentials.1515231612.txt.gz · Last modified: 2018/01/06 10:40 by daniel