pyiron:pyiron-用于计算材料科学的集成开发环境（IDE）
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2021-05-12
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pyiron-master.zip （74个子文件） 
pyiron-master 
.gitignore 136B setup.cfg 321B .devcontainer Dockerfile 748B devcontainer.json 1KB README.rst 6KB .ci_support exclude 23B build_notebooks.sh 452B pyironconfig.py 634B environment.yml 117B build_docs.sh 95B environment-notebooks.yml 226B environment-docs.yml 164B test_backwards.sh 366B binder environment.yml 226B postBuild 706B
apt.txt 16B .github stale.yml 2KB workflows pypicheck.yml 637B docs.yml 876B deploy.yml 818B codeql-analysis.yml 541B notebooks.yml 911B dependabot.yml 142B PULL_REQUEST_TEMPLATE bug_fix.md 898B new_feature.md 899B delete-merged-branch-config.yml 45B ISSUE_TEMPLATE bug_report.md 868B feature_request.md 591B CONTRIBUTING.rst 18KB pyiron _version.py 18KB __init__.py 2KB docs conf.py 10KB environment.yml 58B index.rst 5KB source faq.rst 8KB installation.rst 36KB developers.rst 80B citation.rst 5KB commandline.rst 2KB indices.rst 120B import.rst 917B about.rst 3KB outputformats.rst 14KB examples.rst 320B hdf5.rst 3KB __init__.py 0B _static pyiron_logo.ico 21KB
pyiron-logo.png 65KB screenshots.png 125KB screenshot.png 473KB LICENSE 2KB .gitattributes 32B .coveragerc 115B CODE_OF_CONDUCT.md 3KB MANIFEST.in 65B notebooks phonopy_example.ipynb 144KB lammps-fe-c-example.ipynb 9KB data_mining.ipynb 73KB tests_sphinx_sphinx_check_all.ipynb 20KB water_MD.ipynb 79KB hcp_workfunction.ipynb 37KB sqs.ipynb 6KB gamma_surface_parallel_master.ipynb 23KB bandstructure.ipynb 98KB test_pyiron_installation.ipynb 12KB energy_volume_curve.ipynb 194KB Thermodynamics_QHA.ipynb 177KB first_steps.ipynb 100KB pipeline.ipynb 38KB structures.ipynb 30KB setup.py 1KB .gitpod 53B versioneer.py 67KB .readthedocs.yml 632B资源评论
