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apdft

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2019.12.2 apdft-2019.12.2-py3-none-any.whl

Wheel Details

Project: apdft
Version: 2019.12.2
Filename: apdft-2019.12.2-py3-none-any.whl
Download: [link]
Size: 38624
MD5: 01626a24b5afcb2c19c1492c7c98df61
SHA256: 5af5a0c34c758493523e6e1b5a51bb1064362d95a35cdf3b389b4fd736854885
Uploaded: 2019-12-16 17:01:25 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: apdft
Version: 2019.12.2
Summary: APDFT calculates quantumchemical results for many molecules at once.
Author: Guido Falk von Rudorff
Author-Email: guido[at]vonrudorff.de
Home-Page: https://github.com/ferchault/apdft
Classifier: Development Status :: 3 - Alpha
Classifier: Environment :: Console
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Programming Language :: Python
Requires-Python: >=3.6,<4
Requires-Dist: jinja2
Requires-Dist: basis-set-exchange
Requires-Dist: scipy
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: pyscf
Requires-Dist: structlog
Requires-Dist: colorama
[Description omitted; length: 600 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.33.6)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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apdft/commandline.py sha256=K_slqC3yNDJXz8Z0kPO_mG_3p_e8hQOWjvGN7lNAdqk 6821
apdft/math.py sha256=jIQpnvcK3t43F-dRxGcBnJ6vrmu4h8VjRXQee5CSULU 3178
apdft/physics.py sha256=mTs-9j0n7k-WiKcdpw0rfsb7BO9UYiUyq7XbEtR6gOw 28146
apdft/settings.py sha256=QEH7CHhYne3D64o3rpOo3SaOuTT0IKypJceYZKd3QUo 6580
apdft/calculator/__init__.py sha256=PbXnX-oZJyjZW3QU6wg1-J27CeQhHVtxwjYD3fRyz_E 3293
apdft/calculator/gaussian.py sha256=0NbQp2eXfuF0DKj0TKUOyTsTbRiptLdC5QIYEXqrdlE 5864
apdft/calculator/mrcc.py sha256=ejEMjzk-XFVfhOGLk0P3A6lt2cKoCNuAL6GKqHrOczE 5160
apdft/calculator/pyscf.py sha256=J-soGEZbFZOKfBoWvkaKEFBWIHyrO3t7MQeSqHJj57E 4078
apdft/calculator/templates/gaussian-run.sh sha256=nOqi6fddzKvLiYpNoS8W1yds1n89OKouwpLHOJG_xKY 71
apdft/calculator/templates/gaussian.txt sha256=TAps4mWBNyR52cheCoyDSoFpEGofLJdBUvRuanjyC0o 176
apdft/calculator/templates/horton.py sha256=Zmj6WB5LrDPCAs3i1QjKJwztye_acptUkIPV_Rd54mc 2857
apdft/calculator/templates/mock-run.sh sha256=RHygoMkxl4Q326baGceI535E-g9MZOfsrI_cONKgS8s 27
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apdft-2019.12.2.dist-info/top_level.txt sha256=9slyHKmU8M_OEAs4eBzxDDJmSZ3Ypf6Oo1QUBM8qhRg 6
apdft-2019.12.2.dist-info/RECORD — —

top_level.txt

apdft

entry_points.txt

[console_scripts]
apdft = apdft.commandline:entry_cli