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.