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pyssian

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1.0.2 pyssian-1.0.2-py3-none-any.whl

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Project: pyssian
Version: 1.0.2
Filename: pyssian-1.0.2-py3-none-any.whl
Download: [link]
Size: 235378
MD5: 59794ce1d0f2540a9f06e5b714648c95
SHA256: a382edaa69d5e581f3e8c18877d2d495dbf555fac8a39d9af810f42c13a2f0dc
Uploaded: 2021-07-01 17:02:18 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: pyssian
Version: 1.0.2
Summary: Parser Library for Gaussian Files
Author: Raúl Pérez-Soto
Author-Email: rperezsoto.research[at]gmail.com
Home-Page: https://github.com/maserasgroup-repo/pyssian
Project-Url: Bug Reports, https://github.com/maserasgroup-repo/pyssian/issues
Project-Url: Source, https://github.com/maserasgroup-repo/pyssian
Project-Url: Docs, https://maserasgroup-repo.github.io/pyssian/
Keywords: compchem, gaussian, parser
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Requires-Python: >=3.6
Requires-Dist: setuptools
Requires-Dist: pathlib
Requires-Dist: numpy
Description-Content-Type: text/x-rst
License-File: LICENSE
[Description omitted; length: 4110 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.36.2)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
pyssian/__init__.py sha256=7oqkiQ_Ao8axn4xfcjPzPBTfjO0qzJmeY5MStxyfi3M 54
pyssian/chemistryutils.py sha256=IBQL-CbGYkcDZVoZ96owcq-HZ3OvlhFpJ8pxZ3T14_w 6746
pyssian/classutils.py sha256=YYk7a_7zA6WOH6sf57Hax3fSnByeFUN-_T1jKseTmYM 15237
pyssian/gaussianclasses.py sha256=g1AK39jTUUznKVDkYO0RZV_pF5tT739ClesoE5V9g3M 26606
pyssian/linkjobparsers.py sha256=plkOEtJBoG06tOYMQ_mgvg_RohHhNvdLhyP37sKLU8w 46430
pyssian/tests/__init__.py sha256=2_MhZHkAVeb9U-GM6_6LNurQCw1lt8ACDU7gbiAX3jU 71
pyssian/tests/test_chemistryutils.py sha256=AVbjX1qLvmN2AEzxEK6g1pZJ3DcuoshNV03Hel5bu0k 1550
pyssian/tests/test_linkjobparsers.py sha256=KBxcXaPQoiKmrzuGA9eiG0YI-m92LQlLNCmIfSvkpno 39002
pyssian/tests/test_files/General.txt sha256=fYVjBpjVnIPC__6vIcRiYxYFsx_jketf5ySl1h_lACc 25406
pyssian/tests/test_files/General_regex.txt sha256=n31Q7_yeXmJWV9LIs-4WjLG23LpsvVdo0IekPHqSPYY 67
pyssian/tests/test_files/l1.txt sha256=H19BcFpt6AhqrvTGBc4niQUN1shPkI4z0h6qbD6esVg 14488
pyssian/tests/test_files/l101.txt sha256=sS1jXKfgYgj-87In7XDYTg7vNFquYxjOdFEy5yfTsDs 54943
pyssian/tests/test_files/l103.txt sha256=wBD9rsQxM3A7uTkG0Td9abFwkb57sRQBiQcldbjvTb0 14469
pyssian/tests/test_files/l103_convergence.txt sha256=g0aCpRs-Gt9jXP-bFwkKn_wUrPdFbyDHWTcKJmDImI4 519
pyssian/tests/test_files/l103_derivatives.txt sha256=McofX7gHHLDDXovEZ-zdTVLHh46H8wNyb_IKsZyhduI 1065
pyssian/tests/test_files/l103_parameters.txt sha256=-298WDqRKFPEts1LDySQ-vXAiQM0M3RUZmgFmhtbBmA 2088
pyssian/tests/test_files/l123.txt sha256=7No6FgMzLcdCIYAxTamXOynqYg5y2iTqt8t79RKhRmU 19251
pyssian/tests/test_files/l123_orientation.txt sha256=4eh0PQHVOlgKJbBgkMBpVvh0Fl9EsB8gz7L0XWocDZE 2460
pyssian/tests/test_files/l1_properties.txt sha256=Ptdr5RIlWp58X5rxQurJ4aIFxlOpbdhxhJrOHIzgT0A 535
pyssian/tests/test_files/l1_regex.txt sha256=zoetLI6ZTK0-nImF3vn_1kZLa64B8C9gFxJhjGM8L9U 4469
pyssian/tests/test_files/l202.txt sha256=eHoxPjy4EqZ5Oj2C3d5j6tLfJt3--sgTtTDdrIFGtG8 32642
pyssian/tests/test_files/l202_dmatrices.txt sha256=dS_6ChnUDdcV3hvEPWmo4Lm7hIS1WOSriBSoi70a2Hc 7692
pyssian/tests/test_files/l202_orientations.txt sha256=0wcyF6A55hQr2FgBXtK-feZU_pWgD5WGRU6JNMnLuiE 17785
pyssian/tests/test_files/l202_regex.txt sha256=a0VhgInArgeui-Fdbp8alvpVobYRvAYt4vvj4gp0EKY 20837
pyssian/tests/test_files/l502.txt sha256=LlXDS6Cgnl6L2OJd3KpTEEgSzJWZryrObN7VTHYcYKc 379665
pyssian/tests/test_files/l601.txt sha256=m3AjKDcMIHKfvv9DYnrGEeMlYUq8UNqcLf2udTV3qzc 66897
pyssian/tests/test_files/l601_regex.txt sha256=VwPMOH6F5BBlKFAwymiJ_JVftWypPjk-8PG8kDrBnkk 4170
pyssian/tests/test_files/l716.txt sha256=dER4uWtZTSEgvTXBMqwmUuc2JvkVri97te6fhLQfHt0 68343
pyssian/tests/test_files/l716_reEContrib.txt sha256=HTql2GKB82arVnvas6-HuAXHgFYv5SzBka7CI4XJwZg 1577
pyssian/tests/test_files/l716_reFrequencies.txt sha256=SAtRvcEQJFrp2ZT1F-OCY8GZDnmEeVc0qoXRvhTMbZQ 5231
pyssian/tests/test_files/l716_reIRSpectrum.txt sha256=ApA3DZi1aavK1iB0UkC5uzIOztDMDT8gSTeOfXn5tU8 3331
pyssian/tests/test_files/l716_reThermo.txt sha256=hhJLbXNsthWpMpZSrFxtQuI5yMixJDDTZiIy8hB5Qjo 555
pyssian/tests/test_files/l716_redipole.txt sha256=ce-obiEwzRkU8wTEI9lhj_DUB3EX4Ntcpt72cnbolZU 177
pyssian/tests/test_files/l804.txt sha256=uTBdeo15LfXvdFNdNZG4qE5NxQEbcOccgxVCPbqDFVM 9209
pyssian/tests/test_files/l804_properties.txt sha256=cggYv4o1tYhOQlNunSvUKqsTcf8cFYV-TN7qj18cbe0 1305
pyssian/tests/test_files/l913.txt sha256=kcp06LDMagInf3sNYDoeuINGxEcbdWg1mrgg58pY0Vg 72316
pyssian/tests/test_files/l913_MP4.txt sha256=Ivhuj5pfpJjmQEtuLsigVOPV7E296WMcpdtpIgL4hGY 899
pyssian/tests/test_files/l913_ccsdt.txt sha256=opft5bLY0f26HgW5_SSuNibrbGMI0JflQpiuunJYbn0 216
pyssian/tests/test_files/l914.txt sha256=opkcZ80K8p08mCFSdJg04fIsSxuAWxZBLVGtXc7inkw 94873
pyssian/tests/test_files/l914_properties.txt sha256=hek-pCpA-zRPwYdAsdD8yRWqOL_GPZd6kb6A9JLbNRo 628
pyssian-1.0.2.dist-info/LICENSE sha256=jyyBtfTj76WFG9LR4aNl_kCvvemacT6JGAex3z6Yi98 1074
pyssian-1.0.2.dist-info/METADATA sha256=A4bZjDqwVfddra9dJJZmoIUOG4OyIqYAXH6cE2wVHJ4 5064
pyssian-1.0.2.dist-info/WHEEL sha256=OqRkF0eY5GHssMorFjlbTIq072vpHpF60fIQA6lS9xA 92
pyssian-1.0.2.dist-info/top_level.txt sha256=CnmHgN24KVMcSYagM98K7WotYBcMHnJSkDG7dQfZalg 8
pyssian-1.0.2.dist-info/RECORD — —

top_level.txt

pyssian