Sort all includes in src/gromacs

[alexxy/gromacs.git] / src / gromacs / linearalgebra / gmx_arpack.c

diff --git a/src/gromacs/linearalgebra/gmx_arpack.c b/src/gromacs/linearalgebra/gmx_arpack.c
index 2e187a5c1210a83d02297fa626859d7f04b1fa3a..287f0da282b4839c90b2ed69ee27114b5326c2a8 100644 (file)
--- a/src/gromacs/linearalgebra/gmx_arpack.c
+++ b/src/gromacs/linearalgebra/gmx_arpack.c
@@ -1,41 +1,51 @@
-/* -*- mode: c; tab-width: 4; indent-tabs-mode: m; c-basic-offset: 4 -*-
+/*
+ * This file is part of the GROMACS molecular simulation package.
  *
+ * Copyright (c) 1991-2004 David van der Spoel, Erik Lindahl, University of Groningen.
+ * Copyright (c) 2012,2013,2014, 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.
  *
- * This file is part of Gromacs        Copyright (c) 1991-2004
- * David van der Spoel, Erik Lindahl, University of Groningen.
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
  *
- * This file contains a subset of ARPACK functions to perform
- * diagonalization and SVD for sparse matrices in Gromacs.
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
+ * Lesser General Public License for more details.
  *
- * The code has been translated to C to avoid being dependent on
- * a Fotran compiler, and it has been made threadsafe by using
- * additional workspace arrays to store data during reverse communication.
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
  *
- * You might prefer the original ARPACK library for general use, but
- * in case you want to this version can be redistributed freely, just
- * as the original library. However, please make clear that it is the
- * hacked version from Gromacs so any bugs are blamed on us and not
- * the original authors. You should also be aware that the double
- * precision work array workd needs to be of size (3*N+4) here
- * (4 more than the general library), and there is an extra argument
- * iwork, which should be an integer work array of length 80.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
  *
- * ARPACK was written by
- *
- *     Danny Sorensen               Phuong Vu
- *    Rihard Lehoucq              CRPC / Rice University
- *    Dept. of Computational &     Houston, Texas
- *    Applied Mathematics
- *    Rice University
- *    Houston, Texas
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
  */
+#include "gmxpre.h"
+
+#include "gmx_arpack.h"
+
 #include <math.h>
 #include <string.h>
 
-#include "gromacs/legacyheaders/types/simple.h"
-#include "gmx_arpack.h"
+#include "gromacs/utility/basedefinitions.h"
+#include "gromacs/utility/real.h"
+
 #include "gmx_blas.h"
 #include "gmx_lapack.h"
+
 static void
 F77_FUNC(dstqrb, DSTQRB) (int *      n,
                           double *   d__,