pyqmc

View on PyPIReverse Dependencies (0)

0.6.0 pyqmc-0.6.0-py3-none-any.whl

Wheel Details

Project: pyqmc
Version: 0.6.0
Filename: pyqmc-0.6.0-py3-none-any.whl
Download: [link]
Size: 93473
MD5: 61441ccc79f9c71d21c814941b71ba06
SHA256: 7d17cb8f73f59b7ee3cdbf437b8841c4355f6816be9df8bd86db8c1e2e16fd75
Uploaded: 2023-05-17 14:16:56 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: pyqmc
Version: 0.6.0
Summary: Python library for real space quantum Monte Carlo
Maintainer: Lucas Wagner
Maintainer-Email: lkwagner[at]illinois.edu
Home-Page: https://github.com/WagnerGroup/pyqmc
License: MIT License
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: Programming Language :: Python
Classifier: License :: OSI Approved :: MIT License
Requires-Dist: scipy
Requires-Dist: pandas
Requires-Dist: pyscf
Requires-Dist: h5py
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 558 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.40.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
pyqmc/__init__.py sha256=cKdg5K6TOxswXJVBa-8Cy0_UuEmd8C2DPTMARCSHcks 38
pyqmc/accumulators.py sha256=gqW29jc_s5cEwOyBD0dsH5h9rs793gL--lQjqyFdZQs 11540
pyqmc/addwf.py sha256=oZmbIBORYiNkSsDYKhC_Q8B1b9jgDn2TwPbta02nCIM 7309
pyqmc/api.py sha256=KzeX54czeifdPPzc_EOoW0BvaWYyaGj0fF3gT2rkNM4 757
pyqmc/coord.py sha256=Kst6aaB-wE88K5cWpCsUnp0DcdwrAcxZF8SQogqnuOg 7685
pyqmc/determinant_tools.py sha256=ugIMzTom7dI_lIoLsHntoSRPyTcJb2n2fb3h0y-JHWM 6366
pyqmc/distance.py sha256=jFmmgl6sv9ktckjEMN8K0QHvbOyN3xwtuHMbHhIyAmc 5327
pyqmc/dmc.py sha256=1IEv03Z25ETTBNpSFGK0L39b3EqAbSpSZU4ZeHMUdBE 19392
pyqmc/energy.py sha256=LLMfi01SWvm6TspOnHYVJ8zHOyWZ0mW6ddZSpUsNBAs 1528
pyqmc/eval_ecp.py sha256=HwBizixcIX_2r8vdANNU3mm4Q4nh2bqWb84XohNgxRI 10433
pyqmc/ewald.py sha256=1Q9VKKfFw-07KfgrNW18J9W5LdGgDwa6CVCkQVyF3wE 17445
pyqmc/func3d.py sha256=BKA6pGMuHyvVFBK33eTNDGhgtCt6AVscXLAvnkoK-uM 14079
pyqmc/geminaljastrow.py sha256=F9ZVmYvV7mL4aFDB-eNKFWssvXwGawLqhnVbyjXD6QI 5991
pyqmc/gpu.py sha256=fuPhwGPxuBr4YnsBAFbFod93R6qlm5joF0Xoeq7t6I4 472
pyqmc/hdftools.py sha256=lWVgdQhgpfdVEmsJySIpdbsIu7bSw-6i5nvwyVA_068 1158
pyqmc/jastrowspin.py sha256=tsuPA4zzHE4kC1O4OmYjWvY3E717m0Gfs5g3sfJa_gk 23163
pyqmc/linemin.py sha256=gO-CoBHiqcEZCxeZaze3dWgvsMvduobhLtnWstJDh6M 10514
pyqmc/mc.py sha256=jCDL8PdhKPKNU0kAp-_vA7IdBQPEZH1vqWvy9bOv7SM 9228
pyqmc/multiplywf.py sha256=emeT9eAJ_XfOos4Qt5j1S8kbE-gL8Ia8A0Jo3MAeCQI 4546
pyqmc/obdm.py sha256=ncbC7_nj4wYK50wOh2ORzj1yUz4n7gFmvUl0rfPxQts 7464
pyqmc/optimize_excited_states.py sha256=e7ef_ROUyXFd8UDgrufcruhZPeGmanVm20V1CmO16xE 23007
pyqmc/optimize_ortho.py sha256=d_CdX9XPcIvreZ5eirWNW3LULeXoetER5l14gIqx2is 27711
pyqmc/optvariance.py sha256=oZfh0WDaOML_Vq1jNw23C9snbqhFBNJMglUnpHj5zeI 1756
pyqmc/orbitals.py sha256=dlSK-YdCMYqS3WG36LaNlfTW0MZdZiqYtue8pJymWNk 14343
pyqmc/pbc.py sha256=QaRtYCSuvQFOdkZqmfAhkIEgVIlfi0HwV1tc2kq1x9A 1259
pyqmc/pyscftools.py sha256=AB-JtwccgwxmACJDkN4Ul-OkosTwsg31St1u68AF8ho 3042
pyqmc/reblock.py sha256=p9uw-9Npc-FHbEJAwdhSBLK5ztbGGBbhusp-RL0SNlA 7281
pyqmc/recipes.py sha256=c2ZQWc6hnTGTOCRZW4XzJ8XiqRTw1haArLf4tfEfy-I 7005
pyqmc/slater.py sha256=-BDiedM4DEyB9Ql8y1WOovaBlSRDIKnx3PoomvgUmHk 17901
pyqmc/supercell.py sha256=LMXkCps_9ruXuJ70RMz_qgvXhkLTGDwsJtotpOXYo5k 2938
pyqmc/tbdm.py sha256=4R9TQI2CqbQNpxDnpPl-_2F-gybxL6S1GgSv5bqp9nA 11346
pyqmc/testwf.py sha256=FIchZSmqkvKtRbw7zUZUMIUO6CL-YHi9w-lcM9_6d9s 10944
pyqmc/three_body_jastrow.py sha256=xUm3zJDbMUqGuFgsJsAnOtemyMi5ujjfkbskJX7kFPc 22293
pyqmc/twists.py sha256=5IAX95PvWZezuPa5uTikXpZRcUM5wFwWkjUPV-rj07M 1745
pyqmc/wftools.py sha256=wYNCj51M1fyNgyWveHT9Fm-fPuAU7aiGPipyhTjEKvI 8459
pyqmc-0.6.0.dist-info/LICENSE sha256=EAjUx6-p2pi2fMpdbN1qfNFjnRsQj7BfZxC86H5RTN4 1071
pyqmc-0.6.0.dist-info/METADATA sha256=p9LgBte8K7hMmtCWVxmj60AkU6wXtYpsBWfIgvSeTos 1134
pyqmc-0.6.0.dist-info/WHEEL sha256=pkctZYzUS4AYVn6dJ-7367OJZivF2e8RA9b_ZBjif18 92
pyqmc-0.6.0.dist-info/top_level.txt sha256=eAeptiSZYBnRR46X9_TepZNTxXH1vwVeMzsl0M5qdNQ 6
pyqmc-0.6.0.dist-info/RECORD

top_level.txt

pyqmc