Forces
Force import/export
Known Formats
| Keyword | Import | Export | Description |
|---|---|---|---|
dlpoly |
✓ | Forces from a CONFIG or REVCON file written by DL_POLY. | |
moscito |
✓ | Forces from structure file (*.str) written by the Moscito code. | |
simple |
✓ | ✓ | Simple three-column file. Line 1 contains the number of atoms N, with the next N lines containing “fx fy fz” for a single atom. |
Options
Import
| Keyword | Arguments | Default | Description |
|---|---|---|---|
Factor |
double |
1.0 |
Factor by which to multiply force values once they have been read in, enabling units to be converted to the internal units used by Dissolve (10 J mol). |
Last modified April 23, 2024: Update release notes. (70ff745)