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2024.8.22 lammps_step-2024.8.22-py2.py3-none-any.whl

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Project: lammps-step
Version: 2024.8.22
Filename: lammps_step-2024.8.22-py2.py3-none-any.whl
Download: [link]
Size: 104648
MD5: 72378d57cebc53c1eb7db8a907a2dfc5
SHA256: c7d050c792af3719818cc6d330a4613dab2ffa8bc9b700257e16e30d690f6ab9
Uploaded: 2024-08-22 14:42:52 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: lammps_step
Version: 2024.8.22
Summary: A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.
Author: MolSSI @ Virginia Tech
Author-Email: seamm[at]molssi.org
Home-Page: https://github.com/molssi-seamm/lammps_step
License: BSD-3-Clause
Keywords: SEAMM,plug-in,flowchart,forcefield,EAM,OpenKIM,molecular dynamics,atomistic,MD
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
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: molsystem
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: Pmw
Requires-Dist: scipy
Requires-Dist: pymbar (>=4.0)
Requires-Dist: seamm
Requires-Dist: seamm-exec
Requires-Dist: seamm-ff-util
Requires-Dist: statsmodels
Requires-Dist: tabulate
Description-Content-Type: text/x-rst
License-File: LICENSE
License-File: AUTHORS.rst
[Description omitted; length: 11963 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (73.0.1)
Root-Is-Purelib: true
Tag: py2-none-any
Tag: py3-none-any

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lammps_step-2024.8.22.dist-info/RECORD — —

top_level.txt

lammps_step

entry_points.txt

[console_scripts]
lammps-step-installer = lammps_step.__main__:run
[org.molssi.seamm]
LAMMPS = lammps_step:LAMMPSStep
[org.molssi.seamm.lammps]
Custom = lammps_step:CustomStep
Energy = lammps_step:EnergyStep
HeatFlux = lammps_step:HeatFluxStep
Initialization = lammps_step:InitializationStep
Minimization = lammps_step:MinimizationStep
NPT = lammps_step:NPTStep
NVE = lammps_step:NVEStep
NVT = lammps_step:NVTStep
Velocities = lammps_step:VelocitiesStep
[org.molssi.seamm.lammps.tk]
Custom = lammps_step:CustomStep
Energy = lammps_step:EnergyStep
HeatFlux = lammps_step:HeatFluxStep
Initialization = lammps_step:InitializationStep
Minimization = lammps_step:MinimizationStep
NPT = lammps_step:NPTStep
NVE = lammps_step:NVEStep
NVT = lammps_step:NVTStep
Velocities = lammps_step:VelocitiesStep
[org.molssi.seamm.tk]
LAMMPS = lammps_step:LAMMPSStep

zip-safe