shell版本: bash
python版本: python3.6及以后。目前要求有numpy, ase, matplotlib库。建议安装anaconda。
对脚本执行chmod,如
$ chmod 777 cp2v 然后将其移动到bin/目录下即可调用。
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HanpuLiang/My-PWmat-scripts
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Some scripts for easily using PWmat server.
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