|
..
|
|
potentials
|
|
.gitignore
|
|
0_download_testdata.sh
|
|
SHA256SUMS
|
|
__init__.py
|
|
adcc-testdata
|
|
cache.py
|
|
dump_reference_adcc.py
|
|
generate_hfdata_ch2nh2_sto3g.py
|
|
generate_hfdata_cn_ccpvdz.py
|
|
generate_hfdata_cn_sto3g.py
|
|
generate_hfdata_h2o_def2tzvp.py
|
|
generate_hfdata_h2o_sto3g.py
|
|
generate_hfdata_h2s_6311g.py
|
|
generate_hfdata_h2s_sto3g.py
|
|
generate_hfdata_hf3_631g.py
|
|
generate_hfdata_methox_sto3g.py
|
|
generate_hfimport.py
|
|
generate_qchem_data.py
|
|
generate_reference.py
|
|
qchem_dump.yml
|
|
setup_environment.sh
|
|
static_data.py
|
|
tmole_dump.yml
|