kimmdy

View on PyPIReverse Dependencies (2)

6.13.0 kimmdy-6.13.0-py3-none-any.whl

Wheel Details

Project: kimmdy
Version: 6.13.0
Filename: kimmdy-6.13.0-py3-none-any.whl
Download: [link]
Size: 107678
MD5: f5f6226c77e9133512cba1993f201d6f
SHA256: 0be0390ead07cfdfff3d433a3b7288d3a3be1f2d5044e6ac4996f9ec61e83ea2
Uploaded: 2024-10-23 13:07:45 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: kimmdy
Version: 6.13.0
Summary: Kinetic Monte Carlo Molecular Dynamics
Author: graeter-group
Author-Email: mbm[at]h-its.org
License: MIT
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: GNU General Public License (GPL)
Classifier: Operating System :: OS Independent
Requires-Python: >=3.10
Requires-Dist: pyyaml
Requires-Dist: numpy
Requires-Dist: importlib-metadata
Requires-Dist: MDAnalysis
Requires-Dist: pandas; extra == "analysis"
Requires-Dist: matplotlib; extra == "analysis"
Requires-Dist: seaborn; extra == "analysis"
Requires-Dist: pytest; extra == "dev"
Requires-Dist: tox; extra == "dev"
Requires-Dist: black; extra == "dev"
Requires-Dist: hypothesis; extra == "dev"
Requires-Dist: jupyter; extra == "dev"
Requires-Dist: griffe (<1.0.0,>=0.33); extra == "dev"
Requires-Dist: quartodoc; extra == "dev"
Requires-Dist: pycallgraph2; extra == "dev"
Requires-Dist: kimmdy-reactions; extra == "dev"
Requires-Dist: kimmdy-grappa; extra == "dev"
Requires-Dist: pandas; extra == "dev"
Requires-Dist: matplotlib; extra == "dev"
Requires-Dist: seaborn; extra == "dev"
Requires-Dist: kimmdy-grappa; extra == "grappa"
Requires-Dist: kimmdy-reactions; extra == "plugins"
Requires-Dist: kimmdy-grappa; extra == "plugins"
Requires-Dist: kimmdy-reactions; extra == "reactions"
Provides-Extra: analysis
Provides-Extra: dev
Provides-Extra: grappa
Provides-Extra: plugins
Provides-Extra: reactions
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 2631 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.2.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
kimmdy/__init__.py sha256=9S1JoaCUsDRHAjXkCPIKGzJBJIVL4GzNiP3AmsaUtBQ 63
kimmdy/analysis.py sha256=R-vOE4Wu7LUYbUAQOTGWMsX0mmhpDadPtOjy9R-sR44 28431
kimmdy/cmd.py sha256=zabVWkYURlCvgPPNQG7qLdvVi2-yDwFFYfHxISJAhJs 7410
kimmdy/config.py sha256=qPmLRp81RfPhjnomqcEwC8HeTnHIyutXW97JcIJ38Ow 18242
kimmdy/constants.py sha256=p02Ljg3whjWJg7RcygSwNN6XQs_pd36dm7O48chstRU 3238
kimmdy/coordinates.py sha256=UPAshIZ5vewYEfKiO5cM9gyewGjD8i4nH1i7Wt1bIkA 26335
kimmdy/kimmdy-yaml-schema.json sha256=E0O-HM-NjQIxvPPEObrKY12XQZ1R4V0IYKkkDujpzZA 13790
kimmdy/kmc.py sha256=6FWx9bCLzOoItqbRDS2PJwgEnheHAcg250ylFovu50g 19344
kimmdy/parsing.py sha256=2eMcnvPhKsbmlOdU3Fz0aE78CyWuI_I7sq_CTisoNwc 20527
kimmdy/plugins.py sha256=DPN35vcfQZmVZWIkW39dpxibzUdLyDO5-Q4n2l2lzwY 3603
kimmdy/py.typed sha256=sow9soTwP9T_gEAQSVh7Gb8855h04Nwmhs2We-JRgZM 7
kimmdy/recipe.py sha256=LaknjRPez8rbwFj_YAqitLQfQAMeOMI-eZsWZVXT0BQ 32647
kimmdy/runmanager.py sha256=XZcxntYUs9XXW6nXyh4c9HIJNLLvfgox7H1gh1f9F9E 40442
kimmdy/schema.py sha256=Vr76sgrtCS9RTBPdVifeC-B-MeZ60Oj-PazaMHiJoqI 7257
kimmdy/tasks.py sha256=lyB3hyHZGxbJleAKpmAkIWw0pU2qjug12H0h22x9SiE 6110
kimmdy/tools.py sha256=R0Gt6yBxrOq2sdTNuI_hTJ2ypdrzcA9P2QXco-AafZY 17963
kimmdy/utils.py sha256=4kP_s7OFS2ETNEn0WDN1UDRoVOzDjVgH9ilkh1Dxqk0 17429
kimmdy/assets/templates.py sha256=YcNrtFpJHplm8girlZgKwp7pIiH8U9u8F_RGaPwDYr0 1215
kimmdy/topology/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
kimmdy/topology/atomic.py sha256=CYi0Hl4B8U0Qf_5iGMOJOF3kfed89uubB892sHPbOPY 18753
kimmdy/topology/ff.py sha256=Yc0-ap12VmJlZmLN8tWRw68OzfTXF5Y1xlQ6cKmmudw 5732
kimmdy/topology/topology.py sha256=2hyeuSTDQ9YjZTH0O7AQBseRq-Jgvo12efvsyN_zAAA 59160
kimmdy/topology/utils.py sha256=LEOZGNm2UpX3IIq--rsIhIhftxLr1vONhELQurtWZNg 12894
kimmdy-6.13.0.dist-info/LICENSE sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY 35149
kimmdy-6.13.0.dist-info/METADATA sha256=lwur0e_guAAqP9_i-XZqB9fqQ32EgdWRgRzP5HzuMsM 4165
kimmdy-6.13.0.dist-info/WHEEL sha256=OVMc5UfuAQiSplgO0_WdW7vXVGAt9Hdd6qtN4HotdyA 91
kimmdy-6.13.0.dist-info/entry_points.txt sha256=dZHGDuKoJZGEEmnC2mS57_eG5U4nHzyUyK1tzLW5jBc 294
kimmdy-6.13.0.dist-info/top_level.txt sha256=XnLD4RIhAQpnLiSBwx1GiHi_vwtiub_M9tu7FervbHY 7
kimmdy-6.13.0.dist-info/RECORD

top_level.txt

kimmdy

entry_points.txt

kimmdy = kimmdy.cmd:entry_point_kimmdy
kimmdy-analysis = kimmdy.analysis:entry_point_analysis
kimmdy-build-examples = kimmdy.tools:entry_point_build_examples
kimmdy-create-plumed = kimmdy.tools:entry_point_create_plumed
kimmdy-modify-top = kimmdy.tools:entry_point_modify_top