Path |
Digest |
Size |
dftd3/qcschema.py |
sha256=KbPrOf_uSiUarRqFIBk0w13cFR_pS5TqzhxoNwdKVaw
|
9947 |
dftd3/ase.py |
sha256=9yF6uWUAYnwQCmK-lBbDcLtl9_cRf75f_0IgtRPlht4
|
9817 |
dftd3/test_pyscf.py |
sha256=a-EN77tdJP25afkKeUJiDMXxzMWImgx7ePs2rTjlYXk
|
6304 |
dftd3/test_parameters.py |
sha256=QtXmo-zUk3LkppcibG_efMg7YqN8K3cE4xqJBNni0yE
|
2353 |
dftd3/pyscf.py |
sha256=YqOXUyQZfFFYMPxt9axz9U_jd5p6iszAc9k51UwIU0A
|
11764 |
dftd3/parameters.toml |
sha256=VRSZaSW_5hO13mZgJxO-iUi426a0DE_1OFJy5UEPPp0
|
12588 |
dftd3/parameters.py |
sha256=5NGBLKcfI9h0UgXKLaKYVEEmAliCvqD2gJ8hP55rI5U
|
4396 |
dftd3/test_interface.py |
sha256=s489BFg5cf_A7Ck4nvwYSbVemDwjTodc5RGVRG4h5e8
|
20143 |
dftd3/library.py |
sha256=gq5O8LuKkBR5E8Xev7XvBh1aV_LX24NF7WRAY50EuTk
|
5972 |
dftd3/interface.py |
sha256=niwpH1SS1TcHUOJAWfRvJiposdQo3rbrJkkowzW4nIw
|
15233 |
dftd3/test_qcschema.py |
sha256=NqciaTj40c6KC3SJEJTd10Hn60pS4sZpx-7QdWcR7n8
|
17268 |
dftd3/test_library.py |
sha256=dYzFSpN9wERO6EFHwAVabn4kKMVdiQ8_xyzKJhu3AMw
|
971 |
dftd3/_libdftd3.cpython-39-x86_64-linux-gnu.so |
sha256=lp1_DZOHa1XmKJeTHQ9IXJ-g7YlQnzdmOlXJYL1NxVM
|
1266336 |
dftd3/test_ase.py |
sha256=U5Nyd9O0B_5WrdlFzoOymSLcdCgkr1ZKi_gXFp5loZc
|
3771 |
dftd3/__init__.py |
sha256=-gVM-SeMny80H8YPeSa3nVL2HHEfHcIqreW_OpCf2QY
|
834 |
dftd3-0.7.0.dist-info/WHEEL |
sha256=Y7yTc-6SUDV3rVnmf69m1ZeuxfcPyt9IZy9ZZBKjTAE
|
133 |
dftd3-0.7.0.dist-info/RECORD |
— |
— |
dftd3-0.7.0.dist-info/METADATA |
sha256=tdyc4CeaPFLx90EWiovCAhFp38F8G_G9j2SErNP6tMY
|
13059 |
dftd3-0.7.0.data/data/licenses/mctc-lib/jsonfortran/LICENSE |
sha256=k-pNn2bPf0WYKSqPTj-Xl_EEZb03_E1J0HxsA8L2PYg
|
2849 |
dftd3.libs/libgomp-38ea1071.so.1.0.0 |
sha256=kRd_D1b6wTvZH7FDhrflrSy0XRY0ZJGtmZyy92qUcyA
|
1040376 |
dftd3.libs/libquadmath-80ef4a46.so.0.0.0 |
sha256=vjFYTAu2M5nW5LVp4uAZ7cW-hZ10CAz8SdCSLnVJC4Q
|
800648 |
dftd3.libs/libgfortran-030428ab.so.5.0.0 |
sha256=5paIWtNMcjQKUpwUI-K-6D8cW7jDU_hinWZ3TK_u4kI
|
7035552 |