jcsung/verticalerror
Computes the vertical square error of two isotherms
Quick and dirty bash script, converts DL_POLY CONFIG file to XYZ file
Public repository record indexed from GitHub. Explore verified star velocity metrics, source code repositories, and curated developer tool directories across the GitHubRepo ecosystem.
Computes the vertical square error of two isotherms
Grand Canonical Movie Creator for DL_POLY
Quick and dirty program for converting a simple PDB file to DL_POLY CONFIG file with no PBCs
Quick and dirty PHP script that consolidates and counts all of the unique interactions in a DL_POLY FIELD file. Only counts BOND, ANGLE, DIHEDRAL, and INVERSION interactions.