NONBONDED

This section specifies the input parameters for NON-BONDED interactions. [Edit on GitHub]

Subsections

• GENPOT

Keywords

• DX

• ERROR_LIMIT

Keyword descriptions

DX

Type: real
Default: 1.00000000E-001 [bohr]
Usage: DX

Description: Parameter used for computing the derivative with the Ridders’ method.

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ERROR_LIMIT

Type: real
Default: 1.00000000E-012
Usage: ERROR_LIMIT

Description: Checks that the error in computing the derivative is not larger than the value set; in case error is larger a warning message is printed.

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