| Name | calorine JSON | 
            
| Version | 
                  3.2
                   
                  JSON | 
            
 | download  | 
            
| home_page | None  | 
            
| Summary | A Python library for building and sampling NEP models via the GPUMD package | 
            | upload_time | 2025-08-27 10:41:48 | 
            | maintainer | The calorine developers team | 
            
            | docs_url | None | 
            | author | The calorine developers team | 
            
            | requires_python | >=3.8 | 
            
            
            | license | Mozilla Public License Version 2.0
        ==================================
        
        1. Definitions
        --------------
        
        1.1. "Contributor"
            means each individual or legal entity that creates, contributes to
            the creation of, or owns Covered Software.
        
        1.2. "Contributor Version"
            means the combination of the Contributions of others (if any) used
            by a Contributor and that particular Contributor's Contribution.
        
        1.3. "Contribution"
            means Covered Software of a particular Contributor.
        
        1.4. "Covered Software"
            means Source Code Form to which the initial Contributor has attached
            the notice in Exhibit A, the Executable Form of such Source Code
            Form, and Modifications of such Source Code Form, in each case
            including portions thereof.
        
        1.5. "Incompatible With Secondary Licenses"
            means
        
            (a) that the initial Contributor has attached the notice described
                in Exhibit B to the Covered Software; or
        
            (b) that the Covered Software was made available under the terms of
                version 1.1 or earlier of the License, but not also under the
                terms of a Secondary License.
        
        1.6. "Executable Form"
            means any form of the work other than Source Code Form.
        
        1.7. "Larger Work"
            means a work that combines Covered Software with other material, in
            a separate file or files, that is not Covered Software.
        
        1.8. "License"
            means this document.
        
        1.9. "Licensable"
            means having the right to grant, to the maximum extent possible,
            whether at the time of the initial grant or subsequently, any and
            all of the rights conveyed by this License.
        
        1.10. "Modifications"
            means any of the following:
        
            (a) any file in Source Code Form that results from an addition to,
                deletion from, or modification of the contents of Covered
                Software; or
        
            (b) any new file in Source Code Form that contains any Covered
                Software.
        
        1.11. "Patent Claims" of a Contributor
            means any patent claim(s), including without limitation, method,
            process, and apparatus claims, in any patent Licensable by such
            Contributor that would be infringed, but for the grant of the
            License, by the making, using, selling, offering for sale, having
            made, import, or transfer of either its Contributions or its
            Contributor Version.
        
        1.12. "Secondary License"
            means either the GNU General Public License, Version 2.0, the GNU
            Lesser General Public License, Version 2.1, the GNU Affero General
            Public License, Version 3.0, or any later versions of those
            licenses.
        
        1.13. "Source Code Form"
            means the form of the work preferred for making modifications.
        
        1.14. "You" (or "Your")
            means an individual or a legal entity exercising rights under this
            License. For legal entities, "You" includes any entity that
            controls, is controlled by, or is under common control with You. For
            purposes of this definition, "control" means (a) the power, direct
            or indirect, to cause the direction or management of such entity,
            whether by contract or otherwise, or (b) ownership of more than
            fifty percent (50%) of the outstanding shares or beneficial
            ownership of such entity.
        
        2. License Grants and Conditions
        --------------------------------
        
        2.1. Grants
        
        Each Contributor hereby grants You a world-wide, royalty-free,
        non-exclusive license:
        
        (a) under intellectual property rights (other than patent or trademark)
            Licensable by such Contributor to use, reproduce, make available,
            modify, display, perform, distribute, and otherwise exploit its
            Contributions, either on an unmodified basis, with Modifications, or
            as part of a Larger Work; and
        
        (b) under Patent Claims of such Contributor to make, use, sell, offer
            for sale, have made, import, and otherwise transfer either its
            Contributions or its Contributor Version.
        
        2.2. Effective Date
        
        The licenses granted in Section 2.1 with respect to any Contribution
        become effective for each Contribution on the date the Contributor first
        distributes such Contribution.
        
        2.3. Limitations on Grant Scope
        
        The licenses granted in this Section 2 are the only rights granted under
        this License. No additional rights or licenses will be implied from the
        distribution or licensing of Covered Software under this License.
        Notwithstanding Section 2.1(b) above, no patent license is granted by a
        Contributor:
        
        (a) for any code that a Contributor has removed from Covered Software;
            or
        
        (b) for infringements caused by: (i) Your and any other third party's
            modifications of Covered Software, or (ii) the combination of its
            Contributions with other software (except as part of its Contributor
            Version); or
        
        (c) under Patent Claims infringed by Covered Software in the absence of
            its Contributions.
        
        This License does not grant any rights in the trademarks, service marks,
        or logos of any Contributor (except as may be necessary to comply with
        the notice requirements in Section 3.4).
        
        2.4. Subsequent Licenses
        
        No Contributor makes additional grants as a result of Your choice to
        distribute the Covered Software under a subsequent version of this
        License (see Section 10.2) or under the terms of a Secondary License (if
        permitted under the terms of Section 3.3).
        
        2.5. Representation
        
        Each Contributor represents that the Contributor believes its
        Contributions are its original creation(s) or it has sufficient rights
        to grant the rights to its Contributions conveyed by this License.
        
        2.6. Fair Use
        
        This License is not intended to limit any rights You have under
        applicable copyright doctrines of fair use, fair dealing, or other
        equivalents.
        
        2.7. Conditions
        
        Sections 3.1, 3.2, 3.3, and 3.4 are conditions of the licenses granted
        in Section 2.1.
        
        3. Responsibilities
        -------------------
        
        3.1. Distribution of Source Form
        
        All distribution of Covered Software in Source Code Form, including any
        Modifications that You create or to which You contribute, must be under
        the terms of this License. You must inform recipients that the Source
        Code Form of the Covered Software is governed by the terms of this
        License, and how they can obtain a copy of this License. You may not
        attempt to alter or restrict the recipients' rights in the Source Code
        Form.
        
        3.2. Distribution of Executable Form
        
        If You distribute Covered Software in Executable Form then:
        
        (a) such Covered Software must also be made available in Source Code
            Form, as described in Section 3.1, and You must inform recipients of
            the Executable Form how they can obtain a copy of such Source Code
            Form by reasonable means in a timely manner, at a charge no more
            than the cost of distribution to the recipient; and
        
        (b) You may distribute such Executable Form under the terms of this
            License, or sublicense it under different terms, provided that the
            license for the Executable Form does not attempt to limit or alter
            the recipients' rights in the Source Code Form under this License.
        
        3.3. Distribution of a Larger Work
        
        You may create and distribute a Larger Work under terms of Your choice,
        provided that You also comply with the requirements of this License for
        the Covered Software. If the Larger Work is a combination of Covered
        Software with a work governed by one or more Secondary Licenses, and the
        Covered Software is not Incompatible With Secondary Licenses, this
        License permits You to additionally distribute such Covered Software
        under the terms of such Secondary License(s), so that the recipient of
        the Larger Work may, at their option, further distribute the Covered
        Software under the terms of either this License or such Secondary
        License(s).
        
        3.4. Notices
        
        You may not remove or alter the substance of any license notices
        (including copyright notices, patent notices, disclaimers of warranty,
        or limitations of liability) contained within the Source Code Form of
        the Covered Software, except that You may alter any license notices to
        the extent required to remedy known factual inaccuracies.
        
        3.5. Application of Additional Terms
        
        You may choose to offer, and to charge a fee for, warranty, support,
        indemnity or liability obligations to one or more recipients of Covered
        Software. However, You may do so only on Your own behalf, and not on
        behalf of any Contributor. You must make it absolutely clear that any
        such warranty, support, indemnity, or liability obligation is offered by
        You alone, and You hereby agree to indemnify every Contributor for any
        liability incurred by such Contributor as a result of warranty, support,
        indemnity or liability terms You offer. You may include additional
        disclaimers of warranty and limitations of liability specific to any
        jurisdiction.
        
        4. Inability to Comply Due to Statute or Regulation
        ---------------------------------------------------
        
        If it is impossible for You to comply with any of the terms of this
        License with respect to some or all of the Covered Software due to
        statute, judicial order, or regulation then You must: (a) comply with
        the terms of this License to the maximum extent possible; and (b)
        describe the limitations and the code they affect. Such description must
        be placed in a text file included with all distributions of the Covered
        Software under this License. Except to the extent prohibited by statute
        or regulation, such description must be sufficiently detailed for a
        recipient of ordinary skill to be able to understand it.
        
        5. Termination
        --------------
        
        5.1. The rights granted under this License will terminate automatically
        if You fail to comply with any of its terms. However, if You become
        compliant, then the rights granted under this License from a particular
        Contributor are reinstated (a) provisionally, unless and until such
        Contributor explicitly and finally terminates Your grants, and (b) on an
        ongoing basis, if such Contributor fails to notify You of the
        non-compliance by some reasonable means prior to 60 days after You have
        come back into compliance. Moreover, Your grants from a particular
        Contributor are reinstated on an ongoing basis if such Contributor
        notifies You of the non-compliance by some reasonable means, this is the
        first time You have received notice of non-compliance with this License
        from such Contributor, and You become compliant prior to 30 days after
        Your receipt of the notice.
        
        5.2. If You initiate litigation against any entity by asserting a patent
        infringement claim (excluding declaratory judgment actions,
        counter-claims, and cross-claims) alleging that a Contributor Version
        directly or indirectly infringes any patent, then the rights granted to
        You by any and all Contributors for the Covered Software under Section
        2.1 of this License shall terminate.
        
        5.3. In the event of termination under Sections 5.1 or 5.2 above, all
        end user license agreements (excluding distributors and resellers) which
        have been validly granted by You or Your distributors under this License
        prior to termination shall survive termination.
        
        ************************************************************************
        *                                                                      *
        *  6. Disclaimer of Warranty                                           *
        *  -------------------------                                           *
        *                                                                      *
        *  Covered Software is provided under this License on an "as is"       *
        *  basis, without warranty of any kind, either expressed, implied, or  *
        *  statutory, including, without limitation, warranties that the       *
        *  Covered Software is free of defects, merchantable, fit for a        *
        *  particular purpose or non-infringing. The entire risk as to the     *
        *  quality and performance of the Covered Software is with You.        *
        *  Should any Covered Software prove defective in any respect, You     *
        *  (not any Contributor) assume the cost of any necessary servicing,   *
        *  repair, or correction. This disclaimer of warranty constitutes an   *
        *  essential part of this License. No use of any Covered Software is   *
        *  authorized under this License except under this disclaimer.         *
        *                                                                      *
        ************************************************************************
        
        ************************************************************************
        *                                                                      *
        *  7. Limitation of Liability                                          *
        *  --------------------------                                          *
        *                                                                      *
        *  Under no circumstances and under no legal theory, whether tort      *
        *  (including negligence), contract, or otherwise, shall any           *
        *  Contributor, or anyone who distributes Covered Software as          *
        *  permitted above, be liable to You for any direct, indirect,         *
        *  special, incidental, or consequential damages of any character      *
        *  including, without limitation, damages for lost profits, loss of    *
        *  goodwill, work stoppage, computer failure or malfunction, or any    *
        *  and all other commercial damages or losses, even if such party      *
        *  shall have been informed of the possibility of such damages. This   *
        *  limitation of liability shall not apply to liability for death or   *
        *  personal injury resulting from such party's negligence to the       *
        *  extent applicable law prohibits such limitation. Some               *
        *  jurisdictions do not allow the exclusion or limitation of           *
        *  incidental or consequential damages, so this exclusion and          *
        *  limitation may not apply to You.                                    *
        *                                                                      *
        ************************************************************************
        
        8. Litigation
        -------------
        
        Any litigation relating to this License may be brought only in the
        courts of a jurisdiction where the defendant maintains its principal
        place of business and such litigation shall be governed by laws of that
        jurisdiction, without reference to its conflict-of-law provisions.
        Nothing in this Section shall prevent a party's ability to bring
        cross-claims or counter-claims.
        
        9. Miscellaneous
        ----------------
        
        This License represents the complete agreement concerning the subject
        matter hereof. If any provision of this License is held to be
        unenforceable, such provision shall be reformed only to the extent
        necessary to make it enforceable. Any law or regulation which provides
        that the language of a contract shall be construed against the drafter
        shall not be used to construe this License against a Contributor.
        
        10. Versions of the License
        ---------------------------
        
        10.1. New Versions
        
        Mozilla Foundation is the license steward. Except as provided in Section
        10.3, no one other than the license steward has the right to modify or
        publish new versions of this License. Each version will be given a
        distinguishing version number.
        
        10.2. Effect of New Versions
        
        You may distribute the Covered Software under the terms of the version
        of the License under which You originally received the Covered Software,
        or under the terms of any subsequent version published by the license
        steward.
        
        10.3. Modified Versions
        
        If you create software not governed by this License, and you want to
        create a new license for such software, you may create and use a
        modified version of this License if you rename the license and remove
        any references to the name of the license steward (except to note that
        such modified license differs from this License).
        
        10.4. Distributing Source Code Form that is Incompatible With Secondary
        Licenses
        
        If You choose to distribute Source Code Form that is Incompatible With
        Secondary Licenses under the terms of this version of the License, the
        notice described in Exhibit B of this License must be attached.
        
        Exhibit A - Source Code Form License Notice
        -------------------------------------------
        
          This Source Code Form is subject to the terms of the Mozilla Public
          License, v. 2.0. If a copy of the MPL was not distributed with this
          file, You can obtain one at http://mozilla.org/MPL/2.0/.
        
        If it is not possible or desirable to put the notice in a particular
        file, then You may include the notice in a location (such as a LICENSE
        file in a relevant directory) where a recipient would be likely to look
        for such a notice.
        
        You may add additional accurate notices of copyright ownership.
        
        Exhibit B - "Incompatible With Secondary Licenses" Notice
        ---------------------------------------------------------
        
          This Source Code Form is "Incompatible With Secondary Licenses", as
          defined by the Mozilla Public License, v. 2.0.
         | 
            | keywords | 
                
                    chemistry
                
                     physics
                
                     scientific
                 | 
            | VCS | 
                
                    | 
                
            
            | bugtrack_url | 
                
                 | 
             
            
            | requirements | 
                
                  No requirements were recorded.
                
             | 
            
| Travis-CI | 
                
                   No Travis.
                
             | 
            | coveralls test coverage | 
                
                   No coveralls.
                
             | 
        
        
            
            calorine
========
.. image:: https://joss.theoj.org/papers/10.21105/joss.06264/status.svg
   :target: https://doi.org/10.21105/joss.06264
**calorine** is a Python package for running and analyzing molecular dynamics (MD) simulations via `GPUMD <https://gpumd.org/>`_.
It also provides functionality for constructing and sampling neuroevolution potential (NEP) models via `GPUMD <https://gpumd.org/>`_.
The full documentation can be found at https://calorine.materialsmodeling.org/.
            
         
        Raw data
        
            {
    "_id": null,
    "home_page": null,
    "name": "calorine",
    "maintainer": "The calorine developers team",
    "docs_url": null,
    "requires_python": ">=3.8",
    "maintainer_email": null,
    "keywords": "chemistry, physics, scientific",
    "author": "The calorine developers team",
    "author_email": null,
    "download_url": "https://files.pythonhosted.org/packages/ec/f1/923d8dcf2d54d165bb8eb1f3782ba2aa58a85d7dfd8c43d0173dde836f76/calorine-3.2.tar.gz",
    "platform": null,
    "description": "calorine\n========\n\n.. image:: https://joss.theoj.org/papers/10.21105/joss.06264/status.svg\n   :target: https://doi.org/10.21105/joss.06264\n\n**calorine** is a Python package for running and analyzing molecular dynamics (MD) simulations via `GPUMD <https://gpumd.org/>`_.\nIt also provides functionality for constructing and sampling neuroevolution potential (NEP) models via `GPUMD <https://gpumd.org/>`_.\nThe full documentation can be found at https://calorine.materialsmodeling.org/.\n",
    "bugtrack_url": null,
    "license": "Mozilla Public License Version 2.0\n        ==================================\n        \n        1. Definitions\n        --------------\n        \n        1.1. \"Contributor\"\n            means each individual or legal entity that creates, contributes to\n            the creation of, or owns Covered Software.\n        \n        1.2. \"Contributor Version\"\n            means the combination of the Contributions of others (if any) used\n            by a Contributor and that particular Contributor's Contribution.\n        \n        1.3. \"Contribution\"\n            means Covered Software of a particular Contributor.\n        \n        1.4. \"Covered Software\"\n            means Source Code Form to which the initial Contributor has attached\n            the notice in Exhibit A, the Executable Form of such Source Code\n            Form, and Modifications of such Source Code Form, in each case\n            including portions thereof.\n        \n        1.5. \"Incompatible With Secondary Licenses\"\n            means\n        \n            (a) that the initial Contributor has attached the notice described\n                in Exhibit B to the Covered Software; or\n        \n            (b) that the Covered Software was made available under the terms of\n                version 1.1 or earlier of the License, but not also under the\n                terms of a Secondary License.\n        \n        1.6. \"Executable Form\"\n            means any form of the work other than Source Code Form.\n        \n        1.7. \"Larger Work\"\n            means a work that combines Covered Software with other material, in\n            a separate file or files, that is not Covered Software.\n        \n        1.8. \"License\"\n            means this document.\n        \n        1.9. \"Licensable\"\n            means having the right to grant, to the maximum extent possible,\n            whether at the time of the initial grant or subsequently, any and\n            all of the rights conveyed by this License.\n        \n        1.10. \"Modifications\"\n            means any of the following:\n        \n            (a) any file in Source Code Form that results from an addition to,\n                deletion from, or modification of the contents of Covered\n                Software; or\n        \n            (b) any new file in Source Code Form that contains any Covered\n                Software.\n        \n        1.11. \"Patent Claims\" of a Contributor\n            means any patent claim(s), including without limitation, method,\n            process, and apparatus claims, in any patent Licensable by such\n            Contributor that would be infringed, but for the grant of the\n            License, by the making, using, selling, offering for sale, having\n            made, import, or transfer of either its Contributions or its\n            Contributor Version.\n        \n        1.12. \"Secondary License\"\n            means either the GNU General Public License, Version 2.0, the GNU\n            Lesser General Public License, Version 2.1, the GNU Affero General\n            Public License, Version 3.0, or any later versions of those\n            licenses.\n        \n        1.13. \"Source Code Form\"\n            means the form of the work preferred for making modifications.\n        \n        1.14. \"You\" (or \"Your\")\n            means an individual or a legal entity exercising rights under this\n            License. For legal entities, \"You\" includes any entity that\n            controls, is controlled by, or is under common control with You. For\n            purposes of this definition, \"control\" means (a) the power, direct\n            or indirect, to cause the direction or management of such entity,\n            whether by contract or otherwise, or (b) ownership of more than\n            fifty percent (50%) of the outstanding shares or beneficial\n            ownership of such entity.\n        \n        2. License Grants and Conditions\n        --------------------------------\n        \n        2.1. Grants\n        \n        Each Contributor hereby grants You a world-wide, royalty-free,\n        non-exclusive license:\n        \n        (a) under intellectual property rights (other than patent or trademark)\n            Licensable by such Contributor to use, reproduce, make available,\n            modify, display, perform, distribute, and otherwise exploit its\n            Contributions, either on an unmodified basis, with Modifications, or\n            as part of a Larger Work; and\n        \n        (b) under Patent Claims of such Contributor to make, use, sell, offer\n            for sale, have made, import, and otherwise transfer either its\n            Contributions or its Contributor Version.\n        \n        2.2. Effective Date\n        \n        The licenses granted in Section 2.1 with respect to any Contribution\n        become effective for each Contribution on the date the Contributor first\n        distributes such Contribution.\n        \n        2.3. Limitations on Grant Scope\n        \n        The licenses granted in this Section 2 are the only rights granted under\n        this License. No additional rights or licenses will be implied from the\n        distribution or licensing of Covered Software under this License.\n        Notwithstanding Section 2.1(b) above, no patent license is granted by a\n        Contributor:\n        \n        (a) for any code that a Contributor has removed from Covered Software;\n            or\n        \n        (b) for infringements caused by: (i) Your and any other third party's\n            modifications of Covered Software, or (ii) the combination of its\n            Contributions with other software (except as part of its Contributor\n            Version); or\n        \n        (c) under Patent Claims infringed by Covered Software in the absence of\n            its Contributions.\n        \n        This License does not grant any rights in the trademarks, service marks,\n        or logos of any Contributor (except as may be necessary to comply with\n        the notice requirements in Section 3.4).\n        \n        2.4. Subsequent Licenses\n        \n        No Contributor makes additional grants as a result of Your choice to\n        distribute the Covered Software under a subsequent version of this\n        License (see Section 10.2) or under the terms of a Secondary License (if\n        permitted under the terms of Section 3.3).\n        \n        2.5. Representation\n        \n        Each Contributor represents that the Contributor believes its\n        Contributions are its original creation(s) or it has sufficient rights\n        to grant the rights to its Contributions conveyed by this License.\n        \n        2.6. Fair Use\n        \n        This License is not intended to limit any rights You have under\n        applicable copyright doctrines of fair use, fair dealing, or other\n        equivalents.\n        \n        2.7. Conditions\n        \n        Sections 3.1, 3.2, 3.3, and 3.4 are conditions of the licenses granted\n        in Section 2.1.\n        \n        3. Responsibilities\n        -------------------\n        \n        3.1. Distribution of Source Form\n        \n        All distribution of Covered Software in Source Code Form, including any\n        Modifications that You create or to which You contribute, must be under\n        the terms of this License. You must inform recipients that the Source\n        Code Form of the Covered Software is governed by the terms of this\n        License, and how they can obtain a copy of this License. You may not\n        attempt to alter or restrict the recipients' rights in the Source Code\n        Form.\n        \n        3.2. Distribution of Executable Form\n        \n        If You distribute Covered Software in Executable Form then:\n        \n        (a) such Covered Software must also be made available in Source Code\n            Form, as described in Section 3.1, and You must inform recipients of\n            the Executable Form how they can obtain a copy of such Source Code\n            Form by reasonable means in a timely manner, at a charge no more\n            than the cost of distribution to the recipient; and\n        \n        (b) You may distribute such Executable Form under the terms of this\n            License, or sublicense it under different terms, provided that the\n            license for the Executable Form does not attempt to limit or alter\n            the recipients' rights in the Source Code Form under this License.\n        \n        3.3. Distribution of a Larger Work\n        \n        You may create and distribute a Larger Work under terms of Your choice,\n        provided that You also comply with the requirements of this License for\n        the Covered Software. If the Larger Work is a combination of Covered\n        Software with a work governed by one or more Secondary Licenses, and the\n        Covered Software is not Incompatible With Secondary Licenses, this\n        License permits You to additionally distribute such Covered Software\n        under the terms of such Secondary License(s), so that the recipient of\n        the Larger Work may, at their option, further distribute the Covered\n        Software under the terms of either this License or such Secondary\n        License(s).\n        \n        3.4. Notices\n        \n        You may not remove or alter the substance of any license notices\n        (including copyright notices, patent notices, disclaimers of warranty,\n        or limitations of liability) contained within the Source Code Form of\n        the Covered Software, except that You may alter any license notices to\n        the extent required to remedy known factual inaccuracies.\n        \n        3.5. Application of Additional Terms\n        \n        You may choose to offer, and to charge a fee for, warranty, support,\n        indemnity or liability obligations to one or more recipients of Covered\n        Software. However, You may do so only on Your own behalf, and not on\n        behalf of any Contributor. You must make it absolutely clear that any\n        such warranty, support, indemnity, or liability obligation is offered by\n        You alone, and You hereby agree to indemnify every Contributor for any\n        liability incurred by such Contributor as a result of warranty, support,\n        indemnity or liability terms You offer. You may include additional\n        disclaimers of warranty and limitations of liability specific to any\n        jurisdiction.\n        \n        4. Inability to Comply Due to Statute or Regulation\n        ---------------------------------------------------\n        \n        If it is impossible for You to comply with any of the terms of this\n        License with respect to some or all of the Covered Software due to\n        statute, judicial order, or regulation then You must: (a) comply with\n        the terms of this License to the maximum extent possible; and (b)\n        describe the limitations and the code they affect. Such description must\n        be placed in a text file included with all distributions of the Covered\n        Software under this License. Except to the extent prohibited by statute\n        or regulation, such description must be sufficiently detailed for a\n        recipient of ordinary skill to be able to understand it.\n        \n        5. Termination\n        --------------\n        \n        5.1. The rights granted under this License will terminate automatically\n        if You fail to comply with any of its terms. However, if You become\n        compliant, then the rights granted under this License from a particular\n        Contributor are reinstated (a) provisionally, unless and until such\n        Contributor explicitly and finally terminates Your grants, and (b) on an\n        ongoing basis, if such Contributor fails to notify You of the\n        non-compliance by some reasonable means prior to 60 days after You have\n        come back into compliance. Moreover, Your grants from a particular\n        Contributor are reinstated on an ongoing basis if such Contributor\n        notifies You of the non-compliance by some reasonable means, this is the\n        first time You have received notice of non-compliance with this License\n        from such Contributor, and You become compliant prior to 30 days after\n        Your receipt of the notice.\n        \n        5.2. If You initiate litigation against any entity by asserting a patent\n        infringement claim (excluding declaratory judgment actions,\n        counter-claims, and cross-claims) alleging that a Contributor Version\n        directly or indirectly infringes any patent, then the rights granted to\n        You by any and all Contributors for the Covered Software under Section\n        2.1 of this License shall terminate.\n        \n        5.3. In the event of termination under Sections 5.1 or 5.2 above, all\n        end user license agreements (excluding distributors and resellers) which\n        have been validly granted by You or Your distributors under this License\n        prior to termination shall survive termination.\n        \n        ************************************************************************\n        *                                                                      *\n        *  6. Disclaimer of Warranty                                           *\n        *  -------------------------                                           *\n        *                                                                      *\n        *  Covered Software is provided under this License on an \"as is\"       *\n        *  basis, without warranty of any kind, either expressed, implied, or  *\n        *  statutory, including, without limitation, warranties that the       *\n        *  Covered Software is free of defects, merchantable, fit for a        *\n        *  particular purpose or non-infringing. The entire risk as to the     *\n        *  quality and performance of the Covered Software is with You.        *\n        *  Should any Covered Software prove defective in any respect, You     *\n        *  (not any Contributor) assume the cost of any necessary servicing,   *\n        *  repair, or correction. This disclaimer of warranty constitutes an   *\n        *  essential part of this License. No use of any Covered Software is   *\n        *  authorized under this License except under this disclaimer.         *\n        *                                                                      *\n        ************************************************************************\n        \n        ************************************************************************\n        *                                                                      *\n        *  7. Limitation of Liability                                          *\n        *  --------------------------                                          *\n        *                                                                      *\n        *  Under no circumstances and under no legal theory, whether tort      *\n        *  (including negligence), contract, or otherwise, shall any           *\n        *  Contributor, or anyone who distributes Covered Software as          *\n        *  permitted above, be liable to You for any direct, indirect,         *\n        *  special, incidental, or consequential damages of any character      *\n        *  including, without limitation, damages for lost profits, loss of    *\n        *  goodwill, work stoppage, computer failure or malfunction, or any    *\n        *  and all other commercial damages or losses, even if such party      *\n        *  shall have been informed of the possibility of such damages. This   *\n        *  limitation of liability shall not apply to liability for death or   *\n        *  personal injury resulting from such party's negligence to the       *\n        *  extent applicable law prohibits such limitation. Some               *\n        *  jurisdictions do not allow the exclusion or limitation of           *\n        *  incidental or consequential damages, so this exclusion and          *\n        *  limitation may not apply to You.                                    *\n        *                                                                      *\n        ************************************************************************\n        \n        8. Litigation\n        -------------\n        \n        Any litigation relating to this License may be brought only in the\n        courts of a jurisdiction where the defendant maintains its principal\n        place of business and such litigation shall be governed by laws of that\n        jurisdiction, without reference to its conflict-of-law provisions.\n        Nothing in this Section shall prevent a party's ability to bring\n        cross-claims or counter-claims.\n        \n        9. Miscellaneous\n        ----------------\n        \n        This License represents the complete agreement concerning the subject\n        matter hereof. If any provision of this License is held to be\n        unenforceable, such provision shall be reformed only to the extent\n        necessary to make it enforceable. Any law or regulation which provides\n        that the language of a contract shall be construed against the drafter\n        shall not be used to construe this License against a Contributor.\n        \n        10. Versions of the License\n        ---------------------------\n        \n        10.1. New Versions\n        \n        Mozilla Foundation is the license steward. Except as provided in Section\n        10.3, no one other than the license steward has the right to modify or\n        publish new versions of this License. Each version will be given a\n        distinguishing version number.\n        \n        10.2. Effect of New Versions\n        \n        You may distribute the Covered Software under the terms of the version\n        of the License under which You originally received the Covered Software,\n        or under the terms of any subsequent version published by the license\n        steward.\n        \n        10.3. Modified Versions\n        \n        If you create software not governed by this License, and you want to\n        create a new license for such software, you may create and use a\n        modified version of this License if you rename the license and remove\n        any references to the name of the license steward (except to note that\n        such modified license differs from this License).\n        \n        10.4. Distributing Source Code Form that is Incompatible With Secondary\n        Licenses\n        \n        If You choose to distribute Source Code Form that is Incompatible With\n        Secondary Licenses under the terms of this version of the License, the\n        notice described in Exhibit B of this License must be attached.\n        \n        Exhibit A - Source Code Form License Notice\n        -------------------------------------------\n        \n          This Source Code Form is subject to the terms of the Mozilla Public\n          License, v. 2.0. If a copy of the MPL was not distributed with this\n          file, You can obtain one at http://mozilla.org/MPL/2.0/.\n        \n        If it is not possible or desirable to put the notice in a particular\n        file, then You may include the notice in a location (such as a LICENSE\n        file in a relevant directory) where a recipient would be likely to look\n        for such a notice.\n        \n        You may add additional accurate notices of copyright ownership.\n        \n        Exhibit B - \"Incompatible With Secondary Licenses\" Notice\n        ---------------------------------------------------------\n        \n          This Source Code Form is \"Incompatible With Secondary Licenses\", as\n          defined by the Mozilla Public License, v. 2.0.\n        ",
    "summary": "A Python library for building and sampling NEP models via the GPUMD package",
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