CRYSTALpytools

View on PyPIReverse Dependencies (0)

2024.11.2 CRYSTALpytools-2024.11.2-py2.py3-none-any.whl

Wheel Details

Project: CRYSTALpytools
Version: 2024.11.2
Filename: CRYSTALpytools-2024.11.2-py2.py3-none-any.whl
Download: [link]
Size: 221230
MD5: e70fb319a33e0020bddcd0a0d1f13c78
SHA256: 4fec8f59fb9bd0faf4d4822ced11b9aa957188a8691045f4fc86eb2b26a84fa3
Uploaded: 2024-11-02 13:10:15 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: CRYSTALpytools
Version: 2024.11.2
Summary: Python tools for the CRYSTAL code developed and mantained by the CRYSTAL code developers.
Author-Email: crystalcodetools[at]gmail.com
Home-Page: https://github.com/crystal-code-tools/CRYSTALpytools
Project-Url: Bug Tracker, https://github.com/crystal-code-tools/CRYSTALpytools/issues
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.9
Requires-Dist: numpy (<2.0)
Requires-Dist: sympy
Requires-Dist: scipy
Requires-Dist: matplotlib
Requires-Dist: pandas
Requires-Dist: PyYAML
Requires-Dist: mendeleev (>=0.14.0)
Requires-Dist: pymatgen (>=2022.7.25)
Requires-Dist: ase (>=3.22.1)
Requires-Dist: basis-set-exchange (>=0.9.1)
Description-Content-Type: text/markdown
License-File: LICENSE.txt
[Description omitted; length: 142 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
CRYSTALpytools/__init__.py sha256=rTlWxV-GMgMIbptyInytYGJrKa9tMg6S3nj2EGl4atc 941
CRYSTALpytools/adsorb.py sha256=8bbHqC9Oet1W0TkyHJR9XHfuzrUf2jKLIwiRNRwPdUM 1052
CRYSTALpytools/calculate.py sha256=nUx6xnnf_1846A4nz5o6f395QbbjlYqcuHNxfmamhw4 1233
CRYSTALpytools/convert.py sha256=zp4zO7wtoSmciz8CIt9-fVBqU4ACzaVDnCoOgFXsgPU 24048
CRYSTALpytools/crystal_io.py sha256=TPol02eHIEkDbcMR53x-vi93ydI3nuK5TxGsv5RrlFg 171546
CRYSTALpytools/elastics.py sha256=LtNZkgSN1u6Abgssp2lPmZ3fkLt-QkEX_R3YvkyL9P8 80619
CRYSTALpytools/electronics.py sha256=jv70Z7N3YHNVOAQ2MmzYcxK9-g53Gh-aj8E06IgvBJs 65204
CRYSTALpytools/execute.py sha256=AJxezkFy8dvbK8VRPG5k8s0NLOYjpXQ9A6cy1MGX9wk 4426
CRYSTALpytools/geometry.py sha256=S2LbM1eO3o9DD_fHvihZ47UzmDX2gTQ0iBCv42pvsTM 31730
CRYSTALpytools/phonons.py sha256=KBWqG0EyvqFit_1dsKiRiFFzmk8UJZoIe7eFaKDo3kU 10973
CRYSTALpytools/plot.py sha256=YplDJCftWOASxHz_lY3YfNMNEBvE7DyYWQYX5VWPzm0 159722
CRYSTALpytools/relativistics.py sha256=IwRdk_LntB38fSswC2nqAj3-zX8suXePSrq_Ao3VDpM 29579
CRYSTALpytools/spectra.py sha256=N4SorPpM_ZzAybTmi-bhOX_enlK1O9CK0fIaUDJ7g2k 22533
CRYSTALpytools/thermodynamics.py sha256=mWEl_cT4VWq7TnH8dAkbpQ1Vro3D_Y_gsQgTD189vFs 124060
CRYSTALpytools/topond.py sha256=_7XbmdSpdZYLsx3M7s_nqRlDQU6nrMx7yYGcRz99yY8 96489
CRYSTALpytools/transport.py sha256=3zKtLLvwD_cd7VmOqzCzsmzfGZopvQTw8RWtwRKEmEs 37461
CRYSTALpytools/units.py sha256=1SPndo8I5f_FRyOSPGi_IMqlQdTUmzyAcMqL5AvirV8 3073
CRYSTALpytools/utils.py sha256=1ufUxE3N95p_QkU6vNmvgsn6UH67AxbS0U0qhjF0RTs 693
CRYSTALpytools/base/__init__.py sha256=4kaVMvIfKZZ6XjQxYPGzQLBoh1sj3uz70zwXB1JKZTQ 281
CRYSTALpytools/base/basisset.py sha256=dO4FwOy2Yry7YmPveFy_D2bA34_GP9V61NGM5d2MJd4 17686
CRYSTALpytools/base/crysd12.py sha256=YDoa9cyqdH8r7skFjLv9virfs7GyLa-6Rh6HkFty3vM 57568
CRYSTALpytools/base/extfmt.py sha256=OTrtOHhTA0DNvrQHyV5oWPCMgr-nC1z8VjIPh0jwKAE 35179
CRYSTALpytools/base/inputbase.py sha256=MN5wOZQonXJtu0khcpJjktNfA9FyT2bqIan9NiBfo8Q 10997
CRYSTALpytools/base/output.py sha256=DdzdOdoklFf85B7Nc9XLnFmiaRRg5oPioFgccBdVakQ 33042
CRYSTALpytools/base/plotbase.py sha256=aDB3YMUpVwnNl9Li1bwLwcYBriSfd8Ztfga4e0eNws0 44852
CRYSTALpytools/base/propd3.py sha256=yvIdhbpKv1HGgJgin4Om5zMvs0vyZ8Jx13K_AoAwANg 30250
CRYSTALpytools/io/__init__.py sha256=0NqQJQtxXw_BXPVYhHai8Xl6Q10wvSFkQ9H0ihOEPpI 79
CRYSTALpytools/io/xcrysden.py sha256=P4rgQrj7qwoveHG-9w_XAT4qWvSWURctciD2jt0Jn4E 17494
CRYSTALpytools-2024.11.2.dist-info/LICENSE.txt sha256=EBWJ-4YTI1dbpEy8HXvxSUgBfrH3E8vD5152SYlVhDg 1167
CRYSTALpytools-2024.11.2.dist-info/METADATA sha256=aEgo_WumlI1jeU2ryz7y-JYRkWF1isLWxalURkaknVw 1003
CRYSTALpytools-2024.11.2.dist-info/WHEEL sha256=OpXWERl2xLPRHTvd2ZXo_iluPEQd8uSbYkJ53NAER_Y 109
CRYSTALpytools-2024.11.2.dist-info/top_level.txt sha256=VU6Lmel6TCDE-UEGDOt-39jyMkNb8mSRx0ZzybpGqL8 15
CRYSTALpytools-2024.11.2.dist-info/RECORD

top_level.txt

CRYSTALpytools