fangning-ren

1 listing · 0 installs

Open-source publisher. Listings imported from github.com/fangning-ren — credited to the original author with their license.

↗ github.com/fangning-ren

Self-run

SKILL

Terachem

skill-fangning-ren-terachem-skill-terachem-skill · by fangning-ren

INVOKE this skill when user mentioned TeraChem, GPU-accelerated QC. Set up, run, and analyze TeraChem calculations. Covers single-point energies, geometry optimizations, TDDFT/CIS excited states, PCM solvation, Frenkel exciton model, frequency analysis, omega-tuning for range-separated functionals, IP/EA calculations. Also use when parsing TeraChem output files, converting TeraChem formats (molde…

Free

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