bjmorgan/bwsconvert
Conversion code from PIMAIM to xbs trajectory viewer format
force-directed optimisation of a 3D-periodic graph
This repository is cataloged as part of our automated global GitHub synchronization. Full telemetry, velocity snapshots, and code summaries are scheduled for continuous enrichment.
Conversion code from PIMAIM to xbs trajectory viewer format
Tools for analysing molecular dynamics trajectories based on site occupations
Python program to evaluate off-resonance Raman activity using VASP code as the backend.
A Python package for creating xmgrace files.