examples:potentials:pair:2
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examples_potentials_pair_2 [2013/08/16 14:01] – add warning daniel | examples_potentials_pair_2 [2013/08/19 15:47] – change highlighting daniel | ||
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---- | ---- | ||
- | <WRAP round important | + | <wrap round important |
// | // | ||
This is an example potential. Please do NOT use it for any real simulations! | This is an example potential. Please do NOT use it for any real simulations! | ||
- | </WRAP> | + | </wrap> |
This is a simple pair potential that can be used in // | This is a simple pair potential that can be used in // | ||
Line 14: | Line 14: | ||
It makes use of the **global parameters** feature. | It makes use of the **global parameters** feature. | ||
- | < | + | < |
#F 0 3 | #F 0 3 | ||
#T PAIR | #T PAIR | ||
Line 20: | Line 20: | ||
#E | #E | ||
+ | # This is the definition of 1 global parameter called epsilon | ||
global 1 | global 1 | ||
epsilon 0.10 0.00 1.00 | epsilon 0.10 0.00 1.00 | ||
Line 25: | Line 26: | ||
type lj | type lj | ||
cutoff 6.0 | cutoff 6.0 | ||
+ | # Use the global parameter epsilon | ||
epsilon! | epsilon! | ||
sigma | sigma | ||
Line 30: | Line 32: | ||
type lj | type lj | ||
cutoff 6.0 | cutoff 6.0 | ||
+ | # Use the global parameter epsilon | ||
epsilon! | epsilon! | ||
sigma | sigma | ||
Line 35: | Line 38: | ||
type lj | type lj | ||
cutoff 6.0 | cutoff 6.0 | ||
- | epsilon! | + | epsilon |
sigma | sigma | ||
</ | </ | ||
- | The first parameter of each lj-potential | + | The first parameter of the first two lj-potentials |
parameter of the global section. This can be used to share parameters amongst several potentials. | parameter of the global section. This can be used to share parameters amongst several potentials. | ||
examples/potentials/pair/2.txt · Last modified: 2018/01/10 17:35 by daniel