Wheelodex » Projects » fhi-aims-step

fhi-aims-step

View on PyPI — Reverse Dependencies (0)

2024.10.31 fhi_aims_step-2024.10.31-py2.py3-none-any.whl

Wheel Details

Project: fhi-aims-step
Version: 2024.10.31
Filename: fhi_aims_step-2024.10.31-py2.py3-none-any.whl
Download: [link]
Size: 50850
MD5: 8609ffe8b51467c6595577d48adc64b6
SHA256: 87c95944c9d9eedf128483b9a8e709beaea4be35984b1b074af0b8fe8a9ca0e2
Uploaded: 2024-10-31 23:33:16 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt · zip-safe

METADATA

Metadata-Version: 2.1
Name: fhi_aims_step
Version: 2024.10.31
Summary: A SEAMM plug-in for FHI-aims
Author: Paul Saxe
Author-Email: psaxe[at]molssi.org
Home-Page: https://github.com/molssi-seamm/fhi_aims_step
License: BSD-3-Clause
Keywords: SEAMM,SEAMMplugin,flowchart
Classifier: Environment :: Plugins
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: License :: OSI Approved :: BSD License
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Platform: Linux
Platform: Mac OS-X
Platform: Unix
Platform: Windows
Requires-Dist: seamm
Requires-Dist: seamm-exec
Requires-Dist: seamm-util
Requires-Dist: seamm-widgets
Description-Content-Type: text/x-rst
License-File: LICENSE
License-File: AUTHORS.rst
[Description omitted; length: 2908 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.3.0)
Root-Is-Purelib: true
Tag: py2-none-any
Tag: py3-none-any

RECORD

Path Digest Size
fhi_aims_step/__init__.py sha256=TYezKOT_xpvUn4FmcP08NftYwQ4FEbeXcnD8acc8Kls 1138
fhi_aims_step/_version.py sha256=tfifFr9luOsolYlKI2Ex7vftPCMb80_kUAf7t-gtWVI 502
fhi_aims_step/energy.py sha256=YU7Ee5_-yTZXzv4uYVOdlobxs-ZHq6mInM-9tCTHX44 27488
fhi_aims_step/energy_parameters.py sha256=3fcfghyVNjRJX-gdkQPIR3wWcwSNil9E8k8YVPXAPXU 18522
fhi_aims_step/energy_step.py sha256=0J7utMrWwRPxObCZHfVw-zIKT8RZaYmfZpHu-3o2weQ 3029
fhi_aims_step/fhi_aims.py sha256=MnTvdT-hSoxy_nSe5Pl5wlyZ0alWNGLst0zNb6TwXZo 9121
fhi_aims_step/fhi_aims_parameters.py sha256=E3TSQeW5UuF8tzGKMHHRH8U1jwAVMjM1nzdAH-8KpTE 3840
fhi_aims_step/fhi_aims_step.py sha256=SrmitUbkNf9EabYumUlxFPSpxnUT7r-AdmuUyDcYSlE 3026
fhi_aims_step/metadata.py sha256=Rz5B2GkTXsRcJBfnnEHmQ7R4g0oF7TeoRWCLugMtLAs 24733
fhi_aims_step/optimization.py sha256=yXZMHGGUqupQyu5IH6FN4HCqFW4Bwgyp50jT2HwvUNQ 13814
fhi_aims_step/optimization_parameters.py sha256=SDzzAaKXgOz68jo7b85xJDZpwf21IH7Jsjg9RpHp904 4733
fhi_aims_step/optimization_step.py sha256=7jyKmewlmSvcBnLm95n7dTM-mIUoEq94f8X91tTQEcg 3083
fhi_aims_step/substep.py sha256=sqj_8k4GvhLKGyRV_O5JUcbkugchacEJYocs0XS4_mI 16048
fhi_aims_step/tk_energy.py sha256=mF6S37C_Nuhng6QNt2Ul0MaGxzc9ZuFiO7nrD9kpgyM 18130
fhi_aims_step/tk_fhi_aims.py sha256=bywUdiU04kgei0e3vo_y9NZQyd9xeDuuf4uQv1VPx0o 3750
fhi_aims_step/tk_optimization.py sha256=o7dXSPN4i4N1eIeyq4tpWaszFtDxqIuwCyOEm90TPh4 5516
fhi_aims_step/data/configuration.txt sha256=PhMISRGeEZwUH6Z7pnKhTKbP1cZofnNp3GyO7F-yBWA 971
fhi_aims_step/data/fhi-aims.ini sha256=bvsltm5RMCOsHgXILrga7Kol9qKHdwYBbf97rxl_A40 3038
fhi_aims_step/data/properties.csv sha256=P_kMruAM9frZOpiWg0MZdhA7TU6Sll-nsqCpZ-xagkY 126
fhi_aims_step/data/references.bib sha256=AoCgdrg1N8Gz9RU-ye0-XaFAj7D8pbZoELV57er2jDs 3577
fhi_aims_step-2024.10.31.dist-info/AUTHORS.rst sha256=HKy1QAUcENUPZZIAeLClJTLLQ0m438MWROo7bvLs41Q 126
fhi_aims_step-2024.10.31.dist-info/LICENSE sha256=rqT5rYaXVBcrsorOT61AaE8Aj3-gGnqf5vHslZSk9EE 1519
fhi_aims_step-2024.10.31.dist-info/METADATA sha256=WFTGv-tvDC1FOlR0E_Y7d8HVE5BVA4f2cOBdZoxCg5w 3922
fhi_aims_step-2024.10.31.dist-info/WHEEL sha256=OpXWERl2xLPRHTvd2ZXo_iluPEQd8uSbYkJ53NAER_Y 109
fhi_aims_step-2024.10.31.dist-info/entry_points.txt sha256=AhPxh_Fzhkie4EySZD5yWNKuyYtVQJaTyffRFn4UYW0 337
fhi_aims_step-2024.10.31.dist-info/top_level.txt sha256=xOWB_nRx34ry8ZEUXJymB8hchtNKij0VJXx0Vb1sFqg 14
fhi_aims_step-2024.10.31.dist-info/zip-safe sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs 1
fhi_aims_step-2024.10.31.dist-info/RECORD — —

top_level.txt

fhi_aims_step

entry_points.txt

[org.molssi.seamm]
FHI-aims = fhi_aims_step:FHIaimsStep
[org.molssi.seamm.fhi_aims]
Energy = fhi_aims_step:EnergyStep
Optimization = fhi_aims_step:OptimizationStep
[org.molssi.seamm.fhi_aims.tk]
Energy = fhi_aims_step:EnergyStep
Optimization = fhi_aims_step:OptimizationStep
[org.molssi.seamm.tk]
FHI-aims = fhi_aims_step:FHIaimsStep

zip-safe