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ATOMS {KIND1} {KIND2} | |
Defines the atomic kind involved in the nonbond potential | |
This required keyword cannot be repeated and it expects precisely 2 words. |
B {REAL} | |
Defines the B parameter of Siepmann potential | |
This optional keyword cannot be repeated and it expects precisely one real. | |
Default value: 6.00000000E-01 | |
Default unit: [angstrom] |
BETA {REAL} | |
Defines the beta parameter of Siepmann potential | |
This optional keyword cannot be repeated and it expects precisely one real. | |
Default value: 1.00000000E+01 |
D {REAL} | |
Defines the D parameter of Siepmann potential | |
This optional keyword cannot be repeated and it expects precisely one real. | |
Default value: 3.68838800E+00 | |
Default unit: [internal_cp2k] |
E {REAL} | |
Defines the E parameter of Siepmann potential | |
This optional keyword cannot be repeated and it expects precisely one real. | |
Default value: 9.06902500E+00 | |
Default unit: [internal_cp2k] |
B {REAL} | |
Defines the F parameter of Siepmann potential | |
This optional keyword cannot be repeated and it expects precisely one real. | |
Default value: 1.33000000E+01 |
RCUT {REAL} | |
Defines the cutoff parameter of Siepmann potential | |
This optional keyword cannot be repeated and it expects precisely one real. | |
Default value: 3.20000000E+00 | |
Default unit: [angstrom] |
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