siman

Name	siman JSON
Version	1.7.3.3 JSON
	download
home_page	https://github.com/dimonaks/siman
Summary	Manager for DFT calculations
upload_time	2024-06-07 16:07:20
maintainer	None
docs_url	None
author	Dmitry Aksenov
requires_python	None
license	GPL
keywords	dft vasp density functional theory neb dft+u paw gga monte-carlo
VCS
bugtrack_url
requirements	No requirements were recorded.
Travis-CI	No Travis.
coveralls test coverage	No coveralls.

            Manager for first-principles calculations.  
For manual see wiki tab at [github](https://github.com/dimonaks/siman/wiki)

If you use this package please cite:  
Aksyonov et. al, *Understanding migration barriers for monovalent ion insertion in transition metal oxide and phosphate based cathode materials: A DFT study*, [Comp. Mat. Sci. 154, 449-458, 2018](https://doi.org/10.1016/j.commatsci.2018.07.057)  




            

Raw data

            {
    "_id": null,
    "home_page": "https://github.com/dimonaks/siman",
    "name": "siman",
    "maintainer": null,
    "docs_url": null,
    "requires_python": null,
    "maintainer_email": null,
    "keywords": "DFT VASP Density Functional Theory NEB DFT+U PAW GGA Monte-Carlo",
    "author": "Dmitry Aksenov",
    "author_email": "dimonaks@gmail.com",
    "download_url": "https://files.pythonhosted.org/packages/27/c6/0b3a8788453af0f0dfdef4dbd6140e609d8da865e10a9e7b720483eb7592/siman-1.7.3.3.tar.gz",
    "platform": null,
    "description": "Manager for first-principles calculations.  \nFor manual see wiki tab at [github](https://github.com/dimonaks/siman/wiki)\n\nIf you use this package please cite:  \nAksyonov et. al, *Understanding migration barriers for monovalent ion insertion in transition metal oxide and phosphate based cathode materials: A DFT study*, [Comp. Mat. Sci. 154, 449-458, 2018](https://doi.org/10.1016/j.commatsci.2018.07.057)  \n\n\n\n",
    "bugtrack_url": null,
    "license": "GPL",
    "summary": "Manager for DFT calculations",
    "version": "1.7.3.3",
    "project_urls": {
        "Homepage": "https://github.com/dimonaks/siman"
    },
    "split_keywords": [
        "dft",
        "vasp",
        "density",
        "functional",
        "theory",
        "neb",
        "dft+u",
        "paw",
        "gga",
        "monte-carlo"
    ],
    "urls": [
        {
            "comment_text": "",
            "digests": {
                "blake2b_256": "27c60b3a8788453af0f0dfdef4dbd6140e609d8da865e10a9e7b720483eb7592",
                "md5": "e8c2b6e68e48ed63728f03a8bf0bdaa6",
                "sha256": "c59a9fd67c6f4339c1f887d1ee842aca15c886485ceaab07bec788c12a69336b"
            },
            "downloads": -1,
            "filename": "siman-1.7.3.3.tar.gz",
            "has_sig": false,
            "md5_digest": "e8c2b6e68e48ed63728f03a8bf0bdaa6",
            "packagetype": "sdist",
            "python_version": "source",
            "requires_python": null,
            "size": 393639,
            "upload_time": "2024-06-07T16:07:20",
            "upload_time_iso_8601": "2024-06-07T16:07:20.917933Z",
            "url": "https://files.pythonhosted.org/packages/27/c6/0b3a8788453af0f0dfdef4dbd6140e609d8da865e10a9e7b720483eb7592/siman-1.7.3.3.tar.gz",
            "yanked": false,
            "yanked_reason": null
        }
    ],
    "upload_time": "2024-06-07 16:07:20",
    "github": true,
    "gitlab": false,
    "bitbucket": false,
    "codeberg": false,
    "github_user": "dimonaks",
    "github_project": "siman",
    "travis_ci": false,
    "coveralls": false,
    "github_actions": false,
    "lcname": "siman"
}