Tidy: modernize-use-nullptr

[alexxy/gromacs.git] / src / gromacs / mdlib / csettle.cpp

diff --git a/src/gromacs/mdlib/csettle.cpp b/src/gromacs/mdlib/csettle.cpp
index 74e9d498c3722ad6350ba6f0175a5b82289b1bf7..1dbaff73fae5746eca598ffd21d196c57a440ae3 100644 (file)
--- a/src/gromacs/mdlib/csettle.cpp
+++ b/src/gromacs/mdlib/csettle.cpp
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017, 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.
@@ -208,14 +208,14 @@ gmx_settledata_t settle_init(const gmx_mtop_t *mtop)
     real dHH = mtop->ffparams.iparams[settle_type].settle.dhh;
     settleparam_init(&settled->mass1, 1.0, 1.0, 1.0, 1.0, dOH, dHH);
 
-    settled->ow1    = NULL;
-    settled->hw2    = NULL;
-    settled->hw3    = NULL;
-    settled->virfac = NULL;
+    settled->ow1    = nullptr;
+    settled->hw2    = nullptr;
+    settled->hw3    = nullptr;
+    settled->virfac = nullptr;
     settled->nalloc = 0;
 
     /* Without SIMD configured, this bool is not used */
-    settled->bUseSimd = (getenv("GMX_DISABLE_SIMD_KERNELS") == NULL);
+    settled->bUseSimd = (getenv("GMX_DISABLE_SIMD_KERNELS") == nullptr);
 
     return settled;
 }
@@ -348,7 +348,7 @@ void settle_proj(gmx_settledata_t settled, int econq,
         hw2 = iatoms[i*nral1 + 2];
         hw3 = iatoms[i*nral1 + 3];
 
-        if (pbc == NULL)
+        if (pbc == nullptr)
         {
             rvec_sub(x[ow1], x[hw2], roh2);
             rvec_sub(x[ow1], x[hw3], roh3);
@@ -777,7 +777,7 @@ static void settleTemplateWrapper(gmx_settledata_t settled,
     int settleStart    = ((numSettlePacks* thread      + nthread - 1)/nthread)*packSize;
     int settleEnd      = ((numSettlePacks*(thread + 1) + nthread - 1)/nthread)*packSize;
 
-    if (v != NULL)
+    if (v != nullptr)
     {
         if (!bCalcVirial)
         {
@@ -789,7 +789,7 @@ static void settleTemplateWrapper(gmx_settledata_t settled,
                 pbc,
                 x, xprime,
                 invdt, v,
-                NULL,
+                nullptr,
                 bErrorHasOccurred);
         }
         else
@@ -818,7 +818,7 @@ static void settleTemplateWrapper(gmx_settledata_t settled,
                 pbc,
                 x, xprime,
                 invdt, v,
-                NULL,
+                nullptr,
                 bErrorHasOccurred);
         }
         else
@@ -869,13 +869,13 @@ void csettle(gmx_settledata_t settled,
         t_pbc        pbcNo;
         const t_pbc *pbcNonNull;
 
-        if (pbc != NULL)
+        if (pbc != nullptr)
         {
             pbcNonNull = pbc;
         }
         else
         {
-            set_pbc(&pbcNo, epbcNONE, NULL);
+            set_pbc(&pbcNo, epbcNONE, nullptr);
             pbcNonNull = &pbcNo;
         }