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scripts4chemHPC

My set of useful scripts for chemistry software package in HPC

ShellEmerging

Stars

3

Forks

—

Contributors

1

Last push

38mo ago

Recent commits

Latest commits.

update VASP scripts find and CPUs
2351143Patrick Melix38mo ago
update CP2K runscripts
16be0a9Patrick Melix46mo ago
VASP combine traj only one level of subfolders and current last
b77ebffPatrick Melix46mo ago
update ORCA runscripts
e3949eaPatrick Melix46mo ago
ORCA refactor restart script
a4366ffPatrick Melix49mo ago

ORCA update runscript, use jobname and update memory and file checks

556b1dePatrick Melix49mo ago

VASP add NELDML update on GO restart support and update NMPITASKS calculation

4b45ee6Patrick Melix49mo ago

VASP combine traj update to ignore non-digit subfolders

51900f7Patrick Melix49mo ago

Top contributors

Builders behind this project.