qchem_analysis

Analysis scripts for qchem files

Name		Name	Last commit message	Last commit date
Latest commit History 10 Commits
README.md		README.md
__init__.py		__init__.py
extract_timing.py		extract_timing.py
extract_timing_optrs.py		extract_timing_optrs.py
grep_convergence.sh		grep_convergence.sh
make_submit_script.py		make_submit_script.py
make_submit_script_scratch.py		make_submit_script_scratch.py
opt_out2in.py		opt_out2in.py
opt_out2in_comet.py		opt_out2in_comet.py
opt_out2xyz.py		opt_out2xyz.py
opt_out2xyz_cyc.py		opt_out2xyz_cyc.py
qchem_class.py		qchem_class.py
qchem_helper.py		qchem_helper.py
qchem_opt_out2xyz.py		qchem_opt_out2xyz.py
qchem_optcyc2tddft.py		qchem_optcyc2tddft.py
qchem_xyz.py		qchem_xyz.py

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