ATOMS |
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| ATOMS {KIND1} {KIND2}
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| Defines the atomic kind involved in the nonbond potential
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| This required keyword expects precisely 2 words |
EPSILON |
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| EPSILON {real}
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| Defines the EPSILON parameter of the LJ potential
|
| This required keyword expects a real. Default unit: [K_e]. |
SIGMA |
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| SIGMA {real}
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| Defines the SIGMA parameter of the LJ potential
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| This required keyword expects a real. Default unit: [angstrom]. |
RCUT |
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| RCUT {real}
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| Defines the cutoff parameter of the LJ potential
|
| This optional keyword expects a real. Default unit: [angstrom], default value: 1.0000000000000000E+01
angstrom |
RMIN |
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| RMIN {real}
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| Defines the lower bound of the potential. If not set the range is the full range generate by the spline
|
| This required keyword expects a real. Default unit: [angstrom]. |
RMAX |
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| RMAX {real}
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| Defines the upper bound of the potential. If not set the range is the full range generate by the spline
|
| This required keyword expects a real. Default unit: [angstrom]. |