Path |
Digest |
Size |
AuToGraFS-2.3.2.dist-info/DESCRIPTION.rst |
sha256=H6qQU4iFu1nbpbp7M60sZfoRhHPS1Go5ZWXOrTII-_s
|
5465 |
AuToGraFS-2.3.2.dist-info/METADATA |
sha256=L_xPpWS8ewnPFhgSSHKdw967dawGE-Tu6ZpV_Ei4sbE
|
6055 |
AuToGraFS-2.3.2.dist-info/RECORD |
— |
— |
AuToGraFS-2.3.2.dist-info/WHEEL |
sha256=8Lm45v9gcYRm70DrgFGVe4WsUtUMi1_0Tso1hqPGMjA
|
92 |
AuToGraFS-2.3.2.dist-info/metadata.json |
sha256=DAfWW07iWViOjlh8b0cDhDd5H0KdIadzwz_fhAtsE_U
|
774 |
AuToGraFS-2.3.2.dist-info/top_level.txt |
sha256=bfhLC7xNQnee_C5wP7zSvUFeS9YiqXErESAkw02C5GI
|
10 |
autografs/__init__.py |
sha256=M6Ze63ttzYmdLh_0SeI7E0PKtY2W66Rlav5EpHDenY0
|
810 |
autografs/__version__.py |
sha256=qgv84V_UdNndC9qqib2cmZAyA-US4i0vMmIXCS-4QQk
|
109 |
autografs/autografs.py |
sha256=JgO8SMVHdvi62sK_95_lU6cNCddMYJA_lRsWPtQGAPY
|
19143 |
autografs/framework.py |
sha256=fcMy4uYw7MOVIRLobfGh-NoDFcp_NO9UZ7p7KCfam8o
|
23413 |
autografs/data/sbu/DEFAULTS.xyz |
sha256=1upB8F6mZJezAkvjhtxpiNtSaap3Sw3ZDjTAfNSUhSk
|
184331 |
autografs/data/topologies/HermannMauguin.dat |
sha256=hWowtOM1eBrpBb-MxV10_0cp1aO4CsWWc5IsLKTZz1Q
|
1485 |
autografs/data/topologies/custom.cgd |
sha256=JJ40vsD_VdZqSgPxoRMzMB0AsUnJhJmQY_sNSfjhdH8
|
587 |
autografs/data/topologies/nets.cgd |
sha256=MBL0FpudYtwqiJHks8zjTAOCEWLGWXcAfMu_9d0WQEM
|
1561629 |
autografs/data/uff/rappe.csv |
sha256=L8orl7u9T5o_oNnHy-VrTolks3TmSLBEtYx1aiEXP9Y
|
2337 |
autografs/data/uff/uff4mof.csv |
sha256=eYQvhcBKYk7ixxPipWTnOmthoZ631ivyNHtBXfyGtXM
|
4145 |
autografs/tests/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
autografs/tests/context.py |
sha256=yCw6NwxjTR7IaOzz2gAN4opswKDdJArnRmf1sEk9V2Y
|
168 |
autografs/tests/test_advanced.py |
sha256=4NXyOGJDCny1TmsEbGBodrtT_gUXWeaSYfIFm8UgwwE
|
1070 |
autografs/tests/test_basic.py |
sha256=2QACQRkigl9sjl-zeVyfRR6gh3W7xct72D4kPFjwI6w
|
1026 |
autografs/utils/__init__.py |
sha256=3RlyQtsmIIYe3s31KV-SpR8ZV1FyjOUG5dYA9RXouCE
|
453 |
autografs/utils/io.py |
sha256=T7jGDf1fHGVPRGaBJFN5bGmO6smg6o2ZwtXhuc5H9Ak
|
9902 |
autografs/utils/mmanalysis.py |
sha256=W4OEmQt9Ta7Nkek73Bhnx6xaUfY02dEYvaFSla7uFEM
|
10323 |
autografs/utils/operations.py |
sha256=4tzoMdXdj3pzcCxoIEqdy5z3tU8YvBcu-DshiNGy_aY
|
4485 |
autografs/utils/sbu.py |
sha256=milcPS6UDRVvxvvGHIANh2LBHlUCiWHZRmeRhTv9K9c
|
7789 |
autografs/utils/symmetry.py |
sha256=2_5vAYhU-03wt2UnEJC5CsZHX30qGbkcyRIj47AqvZs
|
20856 |
autografs/utils/topology.py |
sha256=chlebZPMhGvNC_E_BWjGvZNomUwLpMXoe9fmD1N4LpY
|
10992 |