{"payload":{"pageCount":2,"repositories":[{"type":"Public","name":"libra-code","owner":"Quantum-Dynamics-Hub","isFork":false,"description":"","allTopics":["library","utilities","dynamics","quantum","molecular-dynamics","object-oriented","quantum-chemistry","do-it-yourself","electronic-structure","nonadiabatic","methodology-development","semiempirical-methods","atomic-orbitals"],"primaryLanguage":{"name":"Roff","color":"#ecdebe"},"pullRequestCount":1,"issueCount":4,"starsCount":46,"forksCount":43,"license":"GNU General Public License v3.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-06-25T13:59:01.069Z"}},{"type":"Public","name":"VISTA","owner":"Quantum-Dynamics-Hub","isFork":false,"description":"Virtual International Seminar on Theoretical Advancements","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":3,"forksCount":0,"license":"Creative Commons Zero v1.0 Universal","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-06-19T19:01:51.622Z"}},{"type":"Public","name":"pyxaid-code-mpi","owner":"Quantum-Dynamics-Hub","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"C++","color":"#f34b7d"},"pullRequestCount":1,"issueCount":0,"starsCount":2,"forksCount":2,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-01-11T21:45:37.127Z"}},{"type":"Public","name":"MopacWIthLibra","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"A place to keep and update code","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":1,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-09-22T16:10:23.557Z"}},{"type":"Public","name":"Mopac_scripts","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"Scripts to handle input file generation, calculation submission, and calculation of properties using OpenMopac","allTopics":[],"primaryLanguage":{"name":"C++","color":"#f34b7d"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":1,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-08-30T00:29:34.914Z"}},{"type":"Public","name":"modifiedMopac","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"","allTopics":[],"primaryLanguage":{"name":"Fortran","color":"#4d41b1"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":1,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-08-02T18:48:20.728Z"}},{"type":"Public","name":"pysces","owner":"Quantum-Dynamics-Hub","isFork":false,"description":"Documentation of the Pysces code","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":3,"license":"GNU General Public License v3.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-04-07T15:20:56.624Z"}},{"type":"Public","name":"TT-TFD-GQME","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"","allTopics":[],"primaryLanguage":{"name":"C++","color":"#f34b7d"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":3,"license":"GNU General Public License v3.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-09-05T21:45:46.382Z"}},{"type":"Public","name":"TTSOKSL","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"Codes that accompany the TT-SOKSL draft","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":3,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2021-10-18T19:17:04.209Z"}},{"type":"Public","name":"Quantum-Dynamics-Hub-Education","owner":"Quantum-Dynamics-Hub","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"HTML","color":"#e34c26"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":30,"license":"Other","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2021-06-29T19:32:41.950Z"}},{"type":"Public","name":"ctramer","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"","allTopics":[],"primaryLanguage":{"name":"Fortran","color":"#4d41b1"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":1,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2021-06-21T21:49:21.944Z"}},{"type":"Public","name":"NEXMD","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"","allTopics":[],"primaryLanguage":null,"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":10,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2020-09-23T00:36:35.207Z"}},{"type":"Public","name":"Quantum-Dynamics-Hub.github.io","owner":"Quantum-Dynamics-Hub","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"HTML","color":"#e34c26"},"pullRequestCount":1,"issueCount":0,"starsCount":0,"forksCount":2,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2019-12-16T20:33:25.812Z"}},{"type":"Public","name":"AFSSH_modifications","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"","allTopics":[],"primaryLanguage":{"name":"Fortran","color":"#4d41b1"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":2,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2019-12-11T06:02:20.339Z"}},{"type":"Public","name":"HEOM_Amber","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"","allTopics":[],"primaryLanguage":{"name":"Fortran","color":"#4d41b1"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":4,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2019-12-11T05:38:39.264Z"}},{"type":"Public","name":"Surface_Hopping","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"FSSH, IESH etc.","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":4,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2019-11-26T09:12:05.406Z"}},{"type":"Public","name":"Dynemol","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"DynEMol: tools for studying Dynamics of Electrons in Molecules","allTopics":[],"primaryLanguage":{"name":"Fortran","color":"#4d41b1"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":5,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2019-11-07T22:14:47.758Z"}},{"type":"Public","name":"pySpawn17","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":6,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2019-11-04T21:26:42.228Z"}},{"type":"Public","name":"qmflows-namd","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"Package to calculate several properties related to the Nonadiabatic behaviour of a molecular system.","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":10,"license":"Apache License 2.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2019-10-17T14:17:53.146Z"}},{"type":"Public","name":"pyxaid-code","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"The main branch of the Pyxaid code","allTopics":[],"primaryLanguage":{"name":"C++","color":"#f34b7d"},"pullRequestCount":1,"issueCount":0,"starsCount":3,"forksCount":16,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2019-09-26T22:33:20.518Z"}},{"type":"Public","name":"PyDVR","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"A python DVR implementation","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":4,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2019-08-30T18:27:58.167Z"}},{"type":"Public","name":"Hefei-NAMD","owner":"Quantum-Dynamics-Hub","isFork":true,"description":" ab-initio nonadiabatic molecular dynamics program","allTopics":[],"primaryLanguage":{"name":"Fortran","color":"#4d41b1"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":50,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2019-08-14T15:45:18.709Z"}},{"type":"Public","name":"sharc","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":2,"forksCount":31,"license":"Other","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2019-01-14T08:35:56.801Z"}},{"type":"Public","name":"mqds","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"A High-Performance Molecular Quantum Dynamics and Spectroscopy package for general system-bath problems","allTopics":[],"primaryLanguage":{"name":"Fortran","color":"#4d41b1"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":7,"license":"BSD 3-Clause \"New\" or \"Revised\" License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2018-08-03T17:00:13.265Z"}},{"type":"Public","name":"Libra-X","owner":"Quantum-Dynamics-Hub","isFork":false,"description":"","allTopics":["materials","dynamics","modeling","quantum","photovoltaic","quantum-chemistry","modeling-tools","solar-energy","photochemical-reaction","nonadiabatic"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":2,"forksCount":3,"license":"GNU General Public License v3.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2018-08-02T19:12:31.444Z"}},{"type":"Public","name":"FGR-1","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"FGR Transfer Rate","allTopics":[],"primaryLanguage":{"name":"C++","color":"#f34b7d"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":2,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2018-07-03T17:36:31.290Z"}},{"type":"Public","name":"FGR","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"Equilibrium and Non-Equilibrium Fermi's Golden Rule for Charge Transfer Rates","allTopics":[],"primaryLanguage":{"name":"C++","color":"#f34b7d"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":4,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2018-07-02T21:28:27.329Z"}},{"type":"Public","name":"TTSOFT","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"J. Chem. Theory Comput. 13: 4034-4042 (2017)","allTopics":[],"primaryLanguage":{"name":"HTML","color":"#e34c26"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":3,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2018-06-11T14:20:24.600Z"}},{"type":"Public","name":"TT-Toolbox","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"The git repository for the TT-Toolbox","allTopics":[],"primaryLanguage":{"name":"MATLAB","color":"#e16737"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":73,"license":"Other","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2018-06-01T16:58:47.606Z"}},{"type":"Public","name":"1d-dvr","owner":"Quantum-Dynamics-Hub","isFork":true,"description":"1 dimensional discrete variable representation methodology","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":4,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2018-05-09T01:05:16.097Z"}}],"repositoryCount":40,"userInfo":null,"searchable":true,"definitions":[],"typeFilters":[{"id":"all","text":"All"},{"id":"public","text":"Public"},{"id":"source","text":"Sources"},{"id":"fork","text":"Forks"},{"id":"archived","text":"Archived"},{"id":"template","text":"Templates"}],"compactMode":false},"title":"Repositories"}