Wheelodex » Projects » pyiron-potentialfit

pyiron-potentialfit

View on PyPI — Reverse Dependencies (0)

0.3.8 pyiron_potentialfit-0.3.8-py3-none-any.whl

Wheel Details

Project: pyiron-potentialfit
Version: 0.3.8
Filename: pyiron_potentialfit-0.3.8-py3-none-any.whl
Download: [link]
Size: 142356
MD5: 91837f84a8fc06254215db538d88fef3
SHA256: a37575c8bb1c5f86ba1b5aeea8c7633f1ee7570bd1b3e025f98b34bcdd9e1b40
Uploaded: 2024-12-11 12:34:49 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: pyiron_potentialfit
Version: 0.3.8
Summary: Repository for user-generated plugins to the pyiron IDE.
Author: Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department
Author-Email: huber[at]mpie.de
Home-Page: https://github.com/pyiron/pyiron_potentialfit
License: BSD
Keywords: pyiron
Classifier: Development Status :: 4 - Beta
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: License :: OSI Approved :: BSD License
Classifier: Intended Audience :: Science/Research
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Requires-Dist: ase (>=3.23.0)
Requires-Dist: matplotlib (<4,>=3.8.4)
Requires-Dist: numpy (>=1.26.4)
Requires-Dist: pyiron_base (>=0.10.9)
Requires-Dist: pyiron_atomistics (>=0.6.18)
Requires-Dist: scipy (>=1.14.0)
Requires-Dist: runnerase (>=0.3.3)
Requires-Dist: pyiron_snippets (<=0.1.4,>=0.1.1)
Requires-Dist: pyparsing (<3.2,>=3.1.2)
Requires-Dist: pyiron_contrib (>=0.1.18)
Requires-Dist: dill (>=0.3.0)
Requires-Dist: seaborn (<0.14,>=0.13.0)
Requires-Dist: pyxtal (<1.1,>=0.6.0)
License-File: LICENSE
[Description omitted; length: 18 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.6.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
pyiron_potentialfit/__init__.py sha256=47IaPsxoSoLn5IZ4cmJ2nBitj5FWVfZAW4enfviE6jI 1484
pyiron_potentialfit/_version.py sha256=pnk1zT5hdoGoK5cJbadb12CAcH5zI33fZ08t9r58tiI 24648
pyiron_potentialfit/assyst/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
pyiron_potentialfit/assyst/projectflow.py sha256=A7ij9sZ0CpEynTtEW92s7qwoyT-uKO7OhHK9yoIlqiA 16571
pyiron_potentialfit/assyst/util.py sha256=SFGITh55sREPHj4_R-DcSo6UmRARsd3Z2dlJSeHzBqw 9798
pyiron_potentialfit/assyst/vasp.py sha256=iJHMGVcD2FhoAIxzVnPyyr9_hiZwr_aIeYn84_xepGA 2789
pyiron_potentialfit/assyst/calculations/__init__.py sha256=koK9yUUE2gVErGxNgB2jG8MnnvElCqscJ6AUz_-rqp4 167
pyiron_potentialfit/assyst/calculations/workflow.py sha256=E55-ce89hSfvzRjblXEAVd2Wt4YBQUHrlKEpy1NC-ow 12811
pyiron_potentialfit/assyst/structures/__init__.py sha256=uZRWBZFNz7qh-DdQ_9GxTlaenPlaPZjAIYobZNxp4xA 120
pyiron_potentialfit/assyst/structures/job.py sha256=6t5RsgiQYtjQpbdjCg-lu4tjesiZ-O16mNoo4Wy5BYw 1591
pyiron_potentialfit/assyst/structures/minimize.py sha256=2omJt-Jcz4Up3ehOtSfNolLD5dmiVX8dqOVg-FawwWE 9096
pyiron_potentialfit/assyst/structures/random.py sha256=cJAIP4C_tpPStn_4kmmaugm1wS7oXpVgfzjctOU5nQ4 3632
pyiron_potentialfit/assyst/structures/spg.py sha256=YjImTMP8jsLSEeidyBPFNFiKskrMk5WcNw0vu9_CT0E 8933
pyiron_potentialfit/assyst/structures/workflow.py sha256=Ej75d8KV9LzfXp8w8gTLUVHUxofMBeyguaJ4cC8py_o 7555
pyiron_potentialfit/atomicrex/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
pyiron_potentialfit/atomicrex/atomicrex_job.py sha256=hBSP890SLpSHfwHQ-bP0u0egSPKxu2CFHZhu1XTA6M4 337
pyiron_potentialfit/atomicrex/base.py sha256=u9hxLs60NeJPAYr2GN9X9bz9kZPn-O_fHGhzfX8m4rg 11167
pyiron_potentialfit/atomicrex/fit_properties.py sha256=C8zduUFYSzkS7CM_uzWw05QMWgVpABsh_RUPfEPo2HQ 12763
pyiron_potentialfit/atomicrex/function_factory.py sha256=7aymY3drCvoiGPNHCYuR2m-3U9M0OOHn4JI2iT4PFVY 53733
pyiron_potentialfit/atomicrex/general_input.py sha256=t6TtvbO92b9a_7BRvQeFYNT_c6hsltax8r_Fi0_r6II 22424
pyiron_potentialfit/atomicrex/interactive.py sha256=aWP_wqpxlyWAmYGSdXYxX1d-7NBHqz6U_WuF1iYS3Vc 6562
pyiron_potentialfit/atomicrex/output.py sha256=RyonqUEvxEcyoDF_oQNOU3J9vfxKLBawTo-Nh8fvi-Q 432
pyiron_potentialfit/atomicrex/parameter_constraints.py sha256=fRdAML-NXcUt5ufX5K0DKLcTaJoIZjTgVhLZfi9Xamk 1193
pyiron_potentialfit/atomicrex/potential_factory.py sha256=XVJgIeQs-1vUlO3htRTVt24w4ELRVzW2eSisnE0u5X8 45845
pyiron_potentialfit/atomicrex/structure_list.py sha256=NLNMF9FXkKLt769EUYILQufEQvarex8cPcfS13c3kH0 37753
pyiron_potentialfit/atomicrex/utility_functions.py sha256=HSI6UaM29lSMFgFa5C25gB3zPAvcNawUJrlq3XhmoEQ 2268
pyiron_potentialfit/atomistics/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
pyiron_potentialfit/atomistics/job/__init__.py sha256=Zh-qYBUBQEiv2s4qVdH10iaK83Dk0S8tFhx7fIMQUfM 66
pyiron_potentialfit/atomistics/job/structurelistmasterinteractive.py sha256=vUHPrYUSUqPqneIUpceAn7Ik5PJNEOgG0BL34n6519k 3560
pyiron_potentialfit/atomistics/job/trainingcontainer.py sha256=AfckWcxSwFCtHf8Rxup9vnxZFxTINGlHBsgbdvNCpbk 27764
pyiron_potentialfit/meamfit/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
pyiron_potentialfit/meamfit/meamfit.py sha256=dlVpXubGCc2dYZVM-94GjmXcnC6SYRKWacHISe9z0fM 17283
pyiron_potentialfit/ml/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
pyiron_potentialfit/ml/potentialfit.py sha256=BtgBHtXZpMHTBlm-m0jTb7lZo8ReG1fo8_Oe-8e-0Gc 14118
pyiron_potentialfit/mlip/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
pyiron_potentialfit/mlip/cfgs.py sha256=PYEkRQEBHI5AzWtFsFqoePQY_M1vWiu0-xqXqXevRZo 6018
pyiron_potentialfit/mlip/lammps.py sha256=aOu6C6SSstiFqcd49pDmwgl2KMKqFaLmR0OiqDU5EU0 7352
pyiron_potentialfit/mlip/masters.py sha256=Jw0MQ9qoZ284QKi_PsS6oK1ErK-vuNkDpFEK2Rkmk6U 3697
pyiron_potentialfit/mlip/mlip.py sha256=X54SRD96GCUmacN4cBwNKVNicPmzWiMjFozhfls-_E8 32797
pyiron_potentialfit/mlip/mlipdescriptors.py sha256=gmo96_8kopQugDOQjnE5sofYqefbifppmwGtYfBY4PU 4709
pyiron_potentialfit/mlip/parser.py sha256=lYTzmDW0P_op5QuqKacWmEJqLPEsE3qoDjB-h7Krjio 7271
pyiron_potentialfit/mlip/potential.py sha256=BTmrN820mUQn26he99Tr4pW0I2iVTWhUqISQC44yS9I 5988
pyiron_potentialfit/pacemaker/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
pyiron_potentialfit/pacemaker/job.py sha256=OSQevnPcQcWIuXjzMsBi0iu-T8vEwSrIal9OhZ4Z-VA 27585
pyiron_potentialfit/runner/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
pyiron_potentialfit/runner/job.py sha256=up9WNl_O6MwKtOoyqu0y1zXpHpcMZZ2_-jOL2cb1kQc 22529
pyiron_potentialfit/runner/storageclasses.py sha256=XnckBwP_2XdtbCZbAr8uTjnaB1odVGS6Vxr2l697BmE 13529
pyiron_potentialfit/runner/utils.py sha256=HoLEtBZjdGi5KfG2mqJn9DNc9Iaf8zBSThGifKPvGYA 4830
pyiron_potentialfit/spgfit/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
pyiron_potentialfit/spgfit/calculations.py sha256=87vc5nnbJJl4XPPhvk5r0Lc5MDmz3Jfs4tk41LwP9R8 6198
pyiron_potentialfit/spgfit/learn.py sha256=8-nXLP206WwUIpz1KDhKHP9qVVXJEfRqJwerED27aL4 27959
pyiron_potentialfit/spgfit/structures.py sha256=N-8Oqh_V8UikcUN0G92WNeIAqL0OOxms1VdCywRMklw 10014
pyiron_potentialfit-0.3.8.dist-info/LICENSE sha256=8s0cm6PZwKBOLqHjX61ku4c818fIjvi82dBiwSOEqno 1593
pyiron_potentialfit-0.3.8.dist-info/METADATA sha256=cKE-AyegtoVAiGUzu3NAFO_D7PWFsM1LYh8AdGtK3Qg 1233
pyiron_potentialfit-0.3.8.dist-info/WHEEL sha256=PZUExdf71Ui_so67QXpySuHtCi3-J3wvF4ORK6k_S8U 91
pyiron_potentialfit-0.3.8.dist-info/entry_points.txt sha256=rvf2mcQUdDmG-fTYx9_82-BBiTwcEprV3LPmO9Q9YcM 201
pyiron_potentialfit-0.3.8.dist-info/top_level.txt sha256=Gc8MAUYrZMiTF0ngaR_etWuJPo9yhWyPmFDzBERfXUI 20
pyiron_potentialfit-0.3.8.dist-info/RECORD — —

top_level.txt

pyiron_potentialfit

entry_points.txt

[console_scripts]
spgfit-calculations = pyiron_potentialfit.spgfit.calculations:main
spgfit-learn = pyiron_potentialfit.spgfit.learn:main
spgfit-structures = pyiron_potentialfit.spgfit.structures:main