Also print 1x1 pair-list setup to log

[alexxy/gromacs.git] / src / gromacs / mdlib / nbnxn_atomdata.h

diff --git a/src/gromacs/mdlib/nbnxn_atomdata.h b/src/gromacs/mdlib/nbnxn_atomdata.h
index 0d1bedfd51c406ef36ea43f007ce0ca0de008bbb..d1d594e9e5f15915ebe405d6a9b8b860a0e4e288 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_atomdata.h
+++ b/src/gromacs/mdlib/nbnxn_atomdata.h
@@ -43,6 +43,11 @@
 #include "gromacs/utility/basedefinitions.h"
 #include "gromacs/utility/real.h"
 
+namespace gmx
+{
+class MDLogger;
+}
+
 struct t_mdatoms;
 
 /* Default nbnxn allocation routine, allocates 32 byte aligned,
@@ -79,7 +84,7 @@ enum {
  * to the atom data structure.
  * enbnxninitcombrule sets what combination rule data gets stored in nbat.
  */
-void nbnxn_atomdata_init(FILE *fp,
+void nbnxn_atomdata_init(const gmx::MDLogger &mdlog,
                          nbnxn_atomdata_t *nbat,
                          int nb_kernel_type,
                          int enbnxninitcombrule,