Code beautification with uncrustify

[alexxy/gromacs.git] / src / gromacs / mdlib / nlistheuristics.c

diff --git a/src/gromacs/mdlib/nlistheuristics.c b/src/gromacs/mdlib/nlistheuristics.c
index cddfca5acfef9ef37c32abf1aed77d7138b2e7d2..ea662d4da10dc953e464bc43a96a94b62eb5623c 100644 (file)
--- a/src/gromacs/mdlib/nlistheuristics.c
+++ b/src/gromacs/mdlib/nlistheuristics.c
@@ -1,12 +1,12 @@
 /* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
  *
- * 
+ *
  *                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.
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
@@ -17,19 +17,19 @@
  * modify it under the terms of the GNU General Public License
  * as published by the Free Software Foundation; either version 2
  * 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.
- * 
+ *
  * 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:
  * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
  */
@@ -42,36 +42,36 @@
 #include "gmx_fatal.h"
 #include "vec.h"
 
-void reset_nlistheuristics(gmx_nlheur_t *nlh,gmx_large_int_t step)
+void reset_nlistheuristics(gmx_nlheur_t *nlh, gmx_large_int_t step)
 {
-    nlh->lt_runav  = 0;
-    nlh->lt_runav2 = 0;
+    nlh->lt_runav     = 0;
+    nlh->lt_runav2    = 0;
     nlh->step_nscheck = step;
 }
 
 void init_nlistheuristics(gmx_nlheur_t *nlh,
-                          gmx_bool bGStatEveryStep,gmx_large_int_t step)
+                          gmx_bool bGStatEveryStep, gmx_large_int_t step)
 {
     nlh->bGStatEveryStep = bGStatEveryStep;
-    nlh->nns       = 0;
-    nlh->nabnsb    = 0;
-    nlh->s1        = 0;
-    nlh->s2        = 0;
-    nlh->ab        = 0;
+    nlh->nns             = 0;
+    nlh->nabnsb          = 0;
+    nlh->s1              = 0;
+    nlh->s2              = 0;
+    nlh->ab              = 0;
 
-    reset_nlistheuristics(nlh,step);
+    reset_nlistheuristics(nlh, step);
 }
 
-void update_nliststatistics(gmx_nlheur_t *nlh,gmx_large_int_t step)
+void update_nliststatistics(gmx_nlheur_t *nlh, gmx_large_int_t step)
 {
     gmx_large_int_t nl_lt;
-    char sbuf[STEPSTRSIZE],sbuf2[STEPSTRSIZE];
+    char            sbuf[STEPSTRSIZE], sbuf2[STEPSTRSIZE];
 
     /* Determine the neighbor list life time */
     nl_lt = step - nlh->step_ns;
     if (debug)
     {
-        fprintf(debug,"%d atoms beyond ns buffer, updating neighbor list after %s steps\n",nlh->nabnsb,gmx_step_str(nl_lt,sbuf));
+        fprintf(debug, "%d atoms beyond ns buffer, updating neighbor list after %s steps\n", nlh->nabnsb, gmx_step_str(nl_lt, sbuf));
     }
     nlh->nns++;
     nlh->s1 += nl_lt;
@@ -101,34 +101,34 @@ void update_nliststatistics(gmx_nlheur_t *nlh,gmx_large_int_t step)
          * prefers exact integration over performance.
          */
         nlh->step_nscheck = step
-                  + (int)(nlh->lt_runav - 2.0*sqrt(nlh->lt_runav2)) - 1;
+            + (int)(nlh->lt_runav - 2.0*sqrt(nlh->lt_runav2)) - 1;
     }
     if (debug)
     {
-        fprintf(debug,"nlist life time %s run av. %4.1f sig %3.1f check %s check with -gcom %d\n",
-                gmx_step_str(nl_lt,sbuf),nlh->lt_runav,sqrt(nlh->lt_runav2),
-                gmx_step_str(nlh->step_nscheck-step+1,sbuf2),
+        fprintf(debug, "nlist life time %s run av. %4.1f sig %3.1f check %s check with -gcom %d\n",
+                gmx_step_str(nl_lt, sbuf), nlh->lt_runav, sqrt(nlh->lt_runav2),
+                gmx_step_str(nlh->step_nscheck-step+1, sbuf2),
                 (int)(nlh->lt_runav - 2.0*sqrt(nlh->lt_runav2)));
     }
 }
 
-void set_nlistheuristics(gmx_nlheur_t *nlh,gmx_bool bReset,gmx_large_int_t step)
+void set_nlistheuristics(gmx_nlheur_t *nlh, gmx_bool bReset, gmx_large_int_t step)
 {
     int d;
 
     if (bReset)
     {
-        reset_nlistheuristics(nlh,step);
+        reset_nlistheuristics(nlh, step);
     }
     else
     {
-        update_nliststatistics(nlh,step);
+        update_nliststatistics(nlh, step);
     }
 
     nlh->step_ns = step;
     /* Initialize the cumulative coordinate scaling matrix */
     clear_mat(nlh->scale_tot);
-    for(d=0; d<DIM; d++)
+    for (d = 0; d < DIM; d++)
     {
         nlh->scale_tot[d][d] = 1.0;
     }