scientific-computingresearch
hpc-gaussian
Build, review, debug, and automate Gaussian quantum chemistry workflows. Use when working with Gaussian input files, Link 0 directives, route sections, charge and multiplicity, basis sets, SCF or optimization or frequency jobs, checkpoint handoff, or Gaussian execution and restart issues.
maintainer
SciMate-AI
更新于 3/16/2026
星标
29
分支
4
quick start
Installation and usage
Build, review, debug, and automate Gaussian quantum chemistry workflows. Use when working with Gaussian input files, Link 0 directives, route sections, charge and multiplicity, basis sets, SCF or optimization or frequency jobs, checkpoint handoff, or Gaussian execution and restart issues.
安装
$ install --globalskills.sh
使用
安装后，您可以通过在终端运行以下命令来使用此技能：
skills use hpc-gaussian