examples:potentials:pair:5
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examples_potentials_pair_5 [2013/08/15 16:03] – daniel | examples_potentials_pair_5 [2013/08/16 14:47] – add warning daniel | ||
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~~NOTOC~~ | ~~NOTOC~~ | ||
====== Examples : Pair Potentials ====== | ====== Examples : Pair Potentials ====== | ||
+ | |||
+ | ---- | ||
+ | |||
+ | <WRAP round important 500px center> | ||
+ | // | ||
+ | This is an example potential. Please do NOT use it for any real simulations! | ||
+ | </ | ||
This is a simple pair potential that can be used in // | This is a simple pair potential that can be used in // | ||
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type lj | type lj | ||
cutoff 6.0 | cutoff 6.0 | ||
+ | # The following parameter is fixed | ||
epsilon 0.10 0.00 0.00 | epsilon 0.10 0.00 0.00 | ||
sigma | sigma | ||
Line 20: | Line 28: | ||
type lj | type lj | ||
cutoff 6.0 | cutoff 6.0 | ||
+ | # The following parameter is fixed | ||
epsilon 0.10 0.10 0.10 | epsilon 0.10 0.10 0.10 | ||
sigma | sigma | ||
Line 25: | Line 34: | ||
type lj | type lj | ||
cutoff 6.0 | cutoff 6.0 | ||
+ | # The following parameter is fixed | ||
epsilon 0.10 1.00 1.00 | epsilon 0.10 1.00 1.00 | ||
sigma | sigma | ||
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The example potential can be generated with the following '' | The example potential can be generated with the following '' | ||
- | <WRAP round tip>The parameters have to be fixed manually in the potential file!</ | + | <WRAP round tip> |
+ | // | ||
+ | The parameters have to be fixed manually in the potential file! | ||
+ | </ | ||
makeapot -n 2 -i pair -f 3*lj | makeapot -n 2 -i pair -f 3*lj |
examples/potentials/pair/5.txt · Last modified: 2018/01/10 17:36 by daniel