*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
* To help us fund GROMACS development, we humbly ask that you cite
* the research papers on the package. Check out http://www.gromacs.org.
*/
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
#include "cmat.h"
-#include "smalloc.h"
-#include "macros.h"
-#include "vec.h"
-#include "xvgr.h"
+
#include "gromacs/fileio/matio.h"
-#include "gromacs/fileio/futil.h"
+#include "gromacs/fileio/xvgr.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/utility/futil.h"
+#include "gromacs/utility/smalloc.h"
t_mat *init_mat(int n1, gmx_bool b1D)
{
if (dst->nn != src->nn)
{
- fprintf(stderr, "t_mat structures not identical in size dst %d src %d\n",dst->nn,src->nn);
+ fprintf(stderr, "t_mat structures not identical in size dst %d src %d\n", dst->nn, src->nn);
return;
}
dst->maxrms = src->maxrms;
dst->minrms = src->minrms;
dst->sumrms = src->sumrms;
- for(i = 0; (i < src->nn); i++)
+ for (i = 0; (i < src->nn); i++)
{
- for(j = 0; (j < src->nn); j++)
+ for (j = 0; (j < src->nn); j++)
{
dst->mat[i][j] = src->mat[i][j];
}
- dst->erow[i] = src->erow[i];
+ dst->erow[i] = src->erow[i];
dst->m_ind[i] = src->m_ind[i];
}
}
{
fprintf(fp, "%10g %10d\n", i/fac, histo[i]);
}
- ffclose(fp);
+ gmx_ffclose(fp);
sfree(histo);
}