source: tests/JobMarket/mpqc.cpp@ a8961d

IndependentFragmentGrids_Sole_NN_Calculation
Last change on this file since a8961d was 94d5ac6, checked in by Frederik Heber <heber@…>, 12 years ago

FIX: As we use GSL internally, we are as of now required to use GPL v2 license.

  • GNU Scientific Library is used at every place in the code, especially the sub-package LinearAlgebra is based on it which in turn is used really everywhere in the remainder of MoleCuilder. Hence, we have to use the GPL license for the whole of MoleCuilder. In effect, GPL's COPYING was present all along and stated the terms of the GPL v2 license.
  • Hence, I added the default GPL v2 disclaimer to every source file and removed the note about a (actually missing) LICENSE file.
  • also, I added a help-redistribute action which again gives the disclaimer of the GPL v2.
  • also, I changed in the disclaimer that is printed at every program start in builder_init.cpp.
  • TEST: Added check on GPL statement present in every module to test CodeChecks project-disclaimer.
  • Property mode set to 100644
File size: 1.9 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2012 University of Bonn. All rights reserved.
5 *
6 *
7 * This file is part of MoleCuilder.
8 *
9 * MoleCuilder is free software: you can redistribute it and/or modify
10 * it under the terms of the GNU General Public License as published by
11 * the Free Software Foundation, either version 2 of the License, or
12 * (at your option) any later version.
13 *
14 * MoleCuilder is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17 * GNU General Public License for more details.
18 *
19 * You should have received a copy of the GNU General Public License
20 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
21 */
22
23/*
24 * \file mpqc.cpp
25 *
26 * This file is for a stand-in for mpqc that just prints an output file (.out) which
27 * is assumed to be present under the same path as the given input file (.in).
28 *
29 * Created on: Apr 19, 2012
30 * Author: heber
31 */
32
33// include config.h
34#ifdef HAVE_CONFIG_H
35#include <config.h>
36#endif
37
38#include "CodePatterns/MemDebug.hpp"
39
40#include <fstream>
41#include <iostream>
42#include <string>
43
44int main(int argc, char **argv)
45{
46 // check arguments
47 if (argc < 2) {
48 std::cout << argv[0] << ": error: no molecule given" << std::endl;
49 return 134;
50 }
51 // read given file, first line contains output file
52 std::ifstream infile(argv[1]);
53 std::string outfilename;
54 getline(infile, outfilename);
55
56 // try to open file
57 std::ifstream file(outfilename.c_str());
58 if (file.good()) {
59 // print file's contents
60 std::string line;
61 while (getline(file,line))
62 std::cout << line << std::endl;
63
64 return 0;
65 } else {
66 std::cout << argv[0] << ": error: no output file found" << std::endl;
67 return 134;
68 }
69}
70
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