gaussian-chk-to-fchk

使用 Gaussian 的 formchk 工具将 chk 检查点文件转换为 fchk 波函数文本文件。

Repository: cas-bigdatalab/piflow
Last source activity: July 16, 2026 at 10:00
Detected SKILL.md language: Chinese
Stars: 539
Forks: 171

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name	gaussian_chk_to_fchk
description	使用 Gaussian 的 formchk 工具将 chk 检查点文件转换为 fchk 波函数文本文件。
name_zh	Gaussian检查点转换算子
version	1.0.0
tag	科学计算
input_params	[{"name":"input_path","type":"string","required":true,"description":"输入 chk 文件路径"},{"name":"other_param","type":"string","required":false,"description":"额外参数"},{"name":"fchk_output_path","type":"string","required":true,"description":"转换后的 fchk 文件路径"},{"name":"compressed_output_path","type":"string","required":true,"description":"输出文件压缩包路径"}]
output_params	[{"name":"fchk_output_path","type":"string","description":"转换后的 fchk 文件路径"},{"name":"compressed_output_path","type":"string","description":"输出文件压缩包路径"}]
disciplinary_field	化工