geem-lab / geem-lab/docker-hpc

update nwchem7.3.1,gulp6.4,chemsh-py-25.03,openmpi5.0.10

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Thank you for your efforts. The current version is too old. We recommend updating the tutorial to the latest version. Thank you.
update nwchem7.3.1,gulp6.4,chemsh-py-25.03,openmpi5.0.10,cp2k-2026.1,amber2025,Gaussian 16,nbo7,etc...

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