siman

Name	siman JSON
Version	1.8.2 JSON
	download
home_page	https://github.com/dimonaks/siman
Summary	Manager for DFT calculations
upload_time	2025-02-03 18:16:41
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/22/4a/bcac5fe96b17046c028545744664caf7bfe407161f46ccb6b7a5fd1ba706/siman-1.8.2.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)",
    "bugtrack_url": null,
    "license": "GPL",
    "summary": "Manager for DFT calculations",
    "version": "1.8.2",
    "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": "224abcac5fe96b17046c028545744664caf7bfe407161f46ccb6b7a5fd1ba706",
                "md5": "7df8be458e9371e60f10b5b80c22247f",
                "sha256": "cfde88e9cda76420aa6d74153bee17fd2d3f46635d88102d9a37dc6eadb82d9d"
            },
            "downloads": -1,
            "filename": "siman-1.8.2.tar.gz",
            "has_sig": false,
            "md5_digest": "7df8be458e9371e60f10b5b80c22247f",
            "packagetype": "sdist",
            "python_version": "source",
            "requires_python": null,
            "size": 395123,
            "upload_time": "2025-02-03T18:16:41",
            "upload_time_iso_8601": "2025-02-03T18:16:41.472881Z",
            "url": "https://files.pythonhosted.org/packages/22/4a/bcac5fe96b17046c028545744664caf7bfe407161f46ccb6b7a5fd1ba706/siman-1.8.2.tar.gz",
            "yanked": false,
            "yanked_reason": null
        }
    ],
    "upload_time": "2025-02-03 18:16:41",
    "github": true,
    "gitlab": false,
    "bitbucket": false,
    "codeberg": false,
    "github_user": "dimonaks",
    "github_project": "siman",
    "travis_ci": false,
    "coveralls": false,
    "github_actions": false,
    "lcname": "siman"
}