Sort all includes in src/gromacs

[alexxy/gromacs.git] / src / gromacs / gmxana / gmx_sigeps.c

diff --git a/src/gromacs/gmxana/gmx_sigeps.c b/src/gromacs/gmxana/gmx_sigeps.c
index 7e4d850b7979a016cd259925a032e04f3b43e5a1..4eaae62fb613f12cb7883be302717c6856f10eb4 100644 (file)
--- a/src/gromacs/gmxana/gmx_sigeps.c
+++ b/src/gromacs/gmxana/gmx_sigeps.c
@@ -2,12 +2,11 @@
  * 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.
- * Copyright (c) 2012, by the GROMACS development team, led by
- * David van der Spoel, Berk Hess, Erik Lindahl, and including many
- * others, as listed in the AUTHORS file in the top-level source
- * directory and at http://www.gromacs.org.
+ * Copyright (c) 2001-2004, The GROMACS development team.
+ * 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.
  *
  * GROMACS is free software; you can redistribute it and/or
  * modify it under the terms of the GNU Lesser General Public License
@@ -35,27 +34,24 @@
  * 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 <stdio.h>
 #include <math.h>
-#include "typedefs.h"
-#include "statutil.h"
-#include "gmx_fatal.h"
-#include "xvgr.h"
+#include <stdio.h>
+
+#include "gromacs/commandline/pargs.h"
+#include "gromacs/fileio/confio.h"
 #include "gromacs/fileio/pdbio.h"
-#include "macros.h"
-#include "smalloc.h"
-#include "vec.h"
-#include "pbc.h"
-#include "physics.h"
-#include "names.h"
-#include "txtdump.h"
 #include "gromacs/fileio/trnio.h"
-#include "symtab.h"
-#include "gromacs/fileio/confio.h"
+#include "gromacs/fileio/xvgr.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/legacyheaders/names.h"
+#include "gromacs/legacyheaders/txtdump.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/legacyheaders/viewit.h"
+#include "gromacs/math/units.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/utility/smalloc.h"
 
 real pot(real x, real qq, real c6, real cn, int npow)
 {
@@ -75,7 +71,7 @@ real dpot(real x, real qq, real c6, real cn, int npow)
 int gmx_sigeps(int argc, char *argv[])
 {
     const char   *desc[] = {
-        "[TT]g_sigeps[tt] is a simple utility that converts C6/C12 or C6/Cn combinations",
+        "[THISMODULE] is a simple utility that converts C6/C12 or C6/Cn combinations",
         "to [GRK]sigma[grk] and [GRK]epsilon[grk], or vice versa. It can also plot the potential",
         "in  file. In addition, it makes an approximation of a Buckingham potential",
         "to a Lennard-Jones potential."
@@ -191,7 +187,7 @@ int gmx_sigeps(int argc, char *argv[])
         oldx = x;
 
     }
-    ffclose(fp);
+    gmx_ffclose(fp);
 
     do_view(oenv, ftp2fn(efXVG, NFILE, fnm), NULL);