Sort all includes in src/gromacs

[alexxy/gromacs.git] / src / gromacs / linearalgebra / eigensolver.h

diff --git a/src/gromacs/linearalgebra/eigensolver.h b/src/gromacs/linearalgebra/eigensolver.h
index 821b0907e2ca754d0473676613bc6fa54d6694fe..0c2b97d92d0cc43330f681e47a4bc0ccc214be91 100644 (file)
--- a/src/gromacs/linearalgebra/eigensolver.h
+++ b/src/gromacs/linearalgebra/eigensolver.h
@@ -1,43 +1,44 @@
 /*
- * 
- *                This source code is part of
- * 
- *                 G   R   O   M   A   C   S
- * 
- *          GROningen MAchine for Chemical Simulations
- * 
- *                        VERSION 3.2.0
- * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * This file is part of the GROMACS molecular simulation package.
+ *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
- * Copyright (c) 2001-2004, The GROMACS development team,
- * check out http://www.gromacs.org for more information.
-
- * This program is free software; you can redistribute it and/or
- * modify it under the terms of the GNU General Public License
- * as published by the Free Software Foundation; either version 2
+ * Copyright (c) 2001-2004, The GROMACS development team.
+ * Copyright (c) 2012,2014, 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.
+ *
+ * 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.
- * 
- * If you want to redistribute modifications, 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 www.gromacs.org.
- * 
+ *
+ * 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.
+ *
+ * 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.
+ *
+ * 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.
+ *
  * To help us fund GROMACS development, we humbly ask that you cite
- * the papers on the package - you can find them in the top README file.
- * 
- * For more info, check our website at http://www.gromacs.org
- * 
- * And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
+ * the research papers on the package. Check out http://www.gromacs.org.
  */
 #ifndef GMX_LINEARALGEBRA_EIGENSOLVER_H
 #define GMX_LINEARALGEBRA_EIGENSOLVER_H
 
-#include "../legacyheaders/types/simple.h"
-
-#include "sparsematrix.h"
+#include "gromacs/linearalgebra/sparsematrix.h"
+#include "gromacs/utility/real.h"
 
 #ifdef __cplusplus
 extern "C" {
@@ -49,17 +50,17 @@ extern "C" {
  *  the eigenvalues/vectors will be sorted in ascending order on output.
  *  Gromacs comes with a built-in portable BLAS/LAPACK, but if performance
  *  matters it is advisable to link with an optimized vendor-provided library.
- * 
+ *
  *  \param a            Pointer to matrix data, total size n*n
  *                      The input data in the matrix will be destroyed/changed.
  *  \param n            Side of the matrix to calculate eigenvalues for.
  *  \param index_lower  Index of first eigenvector to determine.
  *  \param index_upper  Last eigenvector determined is index_upper-1.
  *  \param eigenvalues  Array of the eigenvalues on return. The length
- *                      of this array _must_ be n, even if not all 
+ *                      of this array _must_ be n, even if not all
  *                      eigenvectors are calculated, since all eigenvalues
  *                      might be needed as an intermediate step.
- *  \param eigenvectors If this pointer is non-NULL, the eigenvectors
+ *  \param eigenvec     If this pointer is non-NULL, the eigenvectors
  *                      specified by the indices are returned as rows of
  *                      a matrix, i.e. eigenvector j starts at offset j*n, and
  *                      is of length n.
@@ -83,7 +84,7 @@ eigensolver(real *   a,
  *
  *  maxiter=100000 should suffice in most cases!
  */
-void 
+void
 sparse_eigensolver(gmx_sparsematrix_t *    A,
                    int                     neig,
                    real *                  eigenvalues,