github.com/rmera/gochem@v0.7.1/README.md (about) 1 goChem is a library fro Computational Chemistry and Biochemistry 2 written in the Go programming language. 3 4 Check out www.gochem.org for more information. 5 6 7 8 Design goals: 9 10 * Simplicity. 11 * Readability. 12 * Fast and light 13 * Concurrent when possible and necessary 14 * Easy to extend 15 * Useful for Computational Chemistry/Biochemistry 16 at a classical and QM levels. 17 18 19 See the Wiki por goChem's current capabilities 20 (https://github.com/rmera/gochem/wiki) 21 22 23 There is no publication on goChem yet. If you use goChem, or 24 or any program based on goChem (such as goMD and goAnalize) 25 before such a publication is available, 26 we ask you to support goChem by citing the library in your publication as: 27 28 Domínguez, C., Jiménez, V, Savasci, G., Araya-Osorio, R., Pesonen, J., Mera-Adasme, 29 "goChem: A library for computational chemistry". https://www.gochem.org 30 31 32 Currently, gochem is licensed under LGPL2.1. This might change 33 towards BSD in the future. Meanwhile, if you want to use some 34 of this for a BSD-licensed project, contact the developer. 35 36 37 38 goChem uses gonum (https://www.gonum.org) for matrix 39 operations. The user can choose to have gonum backed by a pure-go 40 (and some assembly) implementation of BLAS (which allows not having 41 runtime dependencies) or by the somewhat more efficient cBLAS. 42 43 Reading xtc files requires the xdrfile 44 library from Gromacs (www.gromacs.org) 45 46 All dependencies of goChem are open source. 47 48 49 LICENSE 50 51 Copyright 2012 Raul Mera rmeraaatacademicosdotutadotcl 52 53 54 This program, including its documentation, 55 is free software; you can redistribute it and/or modify 56 it under the terms of the GNU Lesser General Public License as 57 published by the Free Software Foundation; either version 2.1 of the 58 License, or (at your option) any later version. 59 60 This program and its documentation is distributed in the hope that 61 it will be useful, but WITHOUT ANY WARRANTY; without even the 62 implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR 63 PURPOSE. See the GNU General Public License for more details. 64 65 You should have received a copy of the GNU Lesser General 66 Public License along with this program. If not, see 67 <http://www.gnu.org/licenses/>. 68 69 70 The mascot is a modification by Sebastian Franchini of the 71 Go language mascot by Renee French. 72 73 74 To the long life of the Ven. Khenpo Phuntzok Tenzin Rinpoche.