{ "info": { "author": "S. Adamson, J. Chapman, T. Durrant, R. Elmaslmane, M. Entwistle, R. Godby, M. Hodgson, P. Lillystone, A. Long, R. Oliver, J. Ramsden, E. Richardson, M. Smith, L. Talirz, J. Wetherell", "author_email": "", "bugtrack_url": null, "classifiers": [ "Development Status :: 3 - Alpha", "License :: OSI Approved :: MIT License", "Programming Language :: Python :: 3", "Programming Language :: Python :: 3.3", "Programming Language :: Python :: 3.4", "Programming Language :: Python :: 3.5" ], "description": "[![Build Status](https://travis-ci.org/godby-group/idea-public.svg?branch=master)](https://travis-ci.org/godby-group/idea-public) [![Docs status](https://readthedocs.org/projects/idea-code/badge)](http://idea-code.readthedocs.io/)\n\n# iDEA\n\nThe [interacting Dynamic Electrons Approach (iDEA)](https://www-users.york.ac.uk/~rwg3/idea.html)\n is a Python-Cython software suite developed in \n[Rex Godby's group](http://www-users.york.ac.uk/~rwg3/) at the University of\nYork since 2010. It has a central role in a number of research projects related\nto many-particle quantum mechanics for electrons in matter.\n\niDEA's main features are:\n\n* Exact solution of the many-particle time-independent Schr\u00f6dinger equation,\n including exact exchange and correlation\n* Exact solution of the many-particle time-dependent Schr\u00f6dinger equation,\n including exact exchange and correlation\n* Simplicity achieved using spinless electrons in one dimension\n* An arbitrary external potential that may be time-dependent\n* Optimisation methods to determine the exact DFT/TDDFT Kohn-Sham potential\n and energy components\n* Implementation of various approximate functionals (established and novel) for\n comparison\n\nA list of publications based on the iDEA code so far is available on [the iDEA code's home page](https://www-users.york.ac.uk/~rwg3/idea.html).\n\n## How to get iDEA\n\nThe quickest way to try out iDEA are the\n[iDEA demos](https://github.com/godby-group/idea-demos), which allow to run iDEA directly in the browser\nusing live jupyter notebooks.\n\nIn order to install iDEA locally, type:\n\n```bash\npip install --user idea-code\n```\n\nFor development, get the latest version from the git repository:\n\n```bash\ngit clone https://github.com/godby-group/idea-public.git\ncd idea-public\npip install --user -e .[doc] --no-build-isolation\nidea-run\n```\n\n## Documentation\n\nThe [iDEA documentation](https://idea-code.readthedocs.io/en/latest/) \nexplains the inner workings and theory behind iDEA, and includes pointers on\n[how to contribute](https://idea-code.readthedocs.io/en/latest/dev/add.html) to the development of iDEA.\n\n## Citing iDEA\n\nIf you use iDEA, we would appreciate a reference to the iDEA code's home page, [https://www-users.york.ac.uk/~rwg3/idea.html](https://www-users.york.ac.uk/~rwg3/idea.html), and to one relevant publication from our group. You might consider:\n\n* For exact solution of the many-particle Schr\u00f6dinger equation and reverse engineering of the exact DFT/TDDFT Kohn-Sham potential: [M.J.P. Hodgson, J.D. Ramsden, J.B.J. Chapman, P. Lillystone, and R.W. Godby, Physical Review B (Rapid Communications) **88** 241102(R) (2013)](http://www-users.york.ac.uk/~rwg3/abst_81-110.html#Paper_87)\n* For Hartree-Fock and hybrid calculations: [A.R. Elmaslmane, J. Wetherell, M.J.P. Hodgson, K.P. McKenna and R.W. Godby, Physical Review Materials **2** 040801(R) (Rapid Communications) (2018)](http://www-users.york.ac.uk/~rwg3/abst_81-110.html#Paper_97)\n* For the iDEA code's local-density approximations from finite systems: [M.T. Entwistle, M.J.P. Hodgson, J. Wetherell, B. Longstaff, J.D. Ramsden and R.W. Godby, Physical Review B **94** 205134 (2016)](http://www-users.york.ac.uk/~rwg3/abst_81-110.html#Paper_92)\n* For the iDEA code's local-density approximation from the 1D homogeneous electron gas: [M.T. Entwistle, M. Casula and R.W. Godby, Physical Review B **97** 235143 (2018)](http://www-users.york.ac.uk/~rwg3/abst_81-110.html#Paper_98)\n\n## License\n\nThe iDEA code is released under the [MIT license](MIT)\n\n\n", "description_content_type": "text/markdown", "docs_url": null, "download_url": "", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "http://www.cmt.york.ac.uk/group_info/idea_html/", "keywords": "", "license": "MIT", "maintainer": "", "maintainer_email": "", "name": "idea-code", "package_url": "https://pypi.org/project/idea-code/", "platform": "", "project_url": "https://pypi.org/project/idea-code/", "project_urls": { "Homepage": "http://www.cmt.york.ac.uk/group_info/idea_html/" }, "release_url": "https://pypi.org/project/idea-code/0.1.0a2/", "requires_dist": [ "matplotlib (>=1.4)", "numpy (>=1.10)", "scipy (>=0.17)", "cython (>=0.22)", "sphinx (>=1.4); extra == 'doc'", "numpydoc; extra == 'doc'", "jupyter; extra == 'doc'", "nbsphinx; extra == 'doc'", "coverage; extra == 'doc'" ], "requires_python": "", "summary": "interacting Dynamic Electrons Approach", "version": "0.1.0a2" }, "last_serial": 4603567, "releases": { "0.1.0a1": [ { "comment_text": "", "digests": { "md5": "c0e549ecaf6c7798921fde1a26235cd2", "sha256": "88b46d7a3403b67429e70c8de8558f97df4ad7defd6db1663416a4518df5eafc" }, "downloads": -1, "filename": "idea_code-0.1.0a1-cp36-cp36m-macosx_10_9_x86_64.whl", "has_sig": false, "md5_digest": "c0e549ecaf6c7798921fde1a26235cd2", "packagetype": "bdist_wheel", "python_version": "cp36", "requires_python": null, "size": 484319, "upload_time": "2018-12-15T19:30:40", "url": "https://files.pythonhosted.org/packages/cd/18/cbe4b0f2b8ba47acb9505e8a64a33d8c65a518219d3ff7c93f84aeb53728/idea_code-0.1.0a1-cp36-cp36m-macosx_10_9_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "8c15c4edd60e1b0c2f02d0972c9fcb72", "sha256": "52bbc8cd15471ee6601864b74894b24feb20329d7db69bb1e0695ac24deb0595" }, "downloads": -1, "filename": "idea-code-0.1.0a1.tar.gz", "has_sig": false, "md5_digest": "8c15c4edd60e1b0c2f02d0972c9fcb72", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 282792, "upload_time": "2018-12-15T19:30:43", "url": "https://files.pythonhosted.org/packages/00/06/42fb1d3c9c41c6f1f6fcb5788be7fbf88272e5c8731247474e17679d6df7/idea-code-0.1.0a1.tar.gz" } ], "0.1.0a2": [ { "comment_text": "", "digests": { "md5": "4dd00e28aeb7890f1f94b732fd48ffe9", "sha256": "a0bde399a30841a4219f510e93c95457c2c5dbb0568aae5ac175ce22827af780" }, "downloads": -1, "filename": "idea_code-0.1.0a2-cp36-cp36m-macosx_10_9_x86_64.whl", "has_sig": false, "md5_digest": "4dd00e28aeb7890f1f94b732fd48ffe9", "packagetype": "bdist_wheel", "python_version": "cp36", "requires_python": null, "size": 484320, "upload_time": "2018-12-15T20:35:35", "url": "https://files.pythonhosted.org/packages/d9/69/752dc22d0819c91b7513d2eb8d08139a0a794ca14e9c7c9eb34f6c309952/idea_code-0.1.0a2-cp36-cp36m-macosx_10_9_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "ddaa5bec5da14348567e58982b6a87d0", "sha256": "265ad4cb0e2384a1c5036c78be701bff4b9954513b3ac08f231352a7083af1a2" }, "downloads": -1, "filename": "idea-code-0.1.0a2.tar.gz", "has_sig": false, "md5_digest": "ddaa5bec5da14348567e58982b6a87d0", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 282888, "upload_time": "2018-12-15T20:35:36", "url": "https://files.pythonhosted.org/packages/4f/a0/346fb2148ea35aa17fdf4755deed487cbd5f6665cd1c6b75d6fd10492148/idea-code-0.1.0a2.tar.gz" } ] }, "urls": [ { "comment_text": "", "digests": { "md5": "4dd00e28aeb7890f1f94b732fd48ffe9", "sha256": "a0bde399a30841a4219f510e93c95457c2c5dbb0568aae5ac175ce22827af780" }, "downloads": -1, "filename": "idea_code-0.1.0a2-cp36-cp36m-macosx_10_9_x86_64.whl", "has_sig": false, "md5_digest": "4dd00e28aeb7890f1f94b732fd48ffe9", "packagetype": "bdist_wheel", "python_version": "cp36", "requires_python": null, "size": 484320, "upload_time": "2018-12-15T20:35:35", "url": "https://files.pythonhosted.org/packages/d9/69/752dc22d0819c91b7513d2eb8d08139a0a794ca14e9c7c9eb34f6c309952/idea_code-0.1.0a2-cp36-cp36m-macosx_10_9_x86_64.whl" }, { "comment_text": "", "digests": { "md5": "ddaa5bec5da14348567e58982b6a87d0", "sha256": "265ad4cb0e2384a1c5036c78be701bff4b9954513b3ac08f231352a7083af1a2" }, "downloads": -1, "filename": "idea-code-0.1.0a2.tar.gz", "has_sig": false, "md5_digest": "ddaa5bec5da14348567e58982b6a87d0", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 282888, "upload_time": "2018-12-15T20:35:36", "url": "https://files.pythonhosted.org/packages/4f/a0/346fb2148ea35aa17fdf4755deed487cbd5f6665cd1c6b75d6fd10492148/idea-code-0.1.0a2.tar.gz" } ] }