Pair Potentials
Pair potential import/export
Import
File Types
Options
| Keyword |
Arguments |
Default |
Description |
Export
File Types
| Keyword |
Description |
block |
Seven column format: Column 1 rColumn 2 Full potential (original plus additional)Column 3 Derivative of full potentialColumn 4 Original potentialColumn 5 AdditionalColumn 6 Exact potential (original, analytic)Column 7 Exact potential (original, analytic derivative) |
table |
TABLE file containing the full potential (original plus additional) suitable for use with the DL_POLY code. |