Remove unused thole polarization rfac parameter

[alexxy/gromacs.git] / src / gromacs / topology / idef.h

diff --git a/src/gromacs/topology/idef.h b/src/gromacs/topology/idef.h
index 40a4913cfbb16b15652112801468ec393f35c78f..60cf6bee0e122ce330e3cd199655bf9be1552800 100644 (file)
--- a/src/gromacs/topology/idef.h
+++ b/src/gromacs/topology/idef.h
@@ -4,7 +4,7 @@
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
  * Copyright (c) 2013,2014,2015,2016,2018 by the GROMACS development team.
- * Copyright (c) 2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2019,2020,2021, 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.
@@ -45,12 +45,12 @@
 
 #include "gromacs/math/vectypes.h"
 #include "gromacs/topology/ifunc.h"
-#include "gromacs/utility/basedefinitions.h"
 #include "gromacs/utility/real.h"
 
 struct gmx_ffparams_t;
 
-typedef union t_iparams {
+typedef union t_iparams
+{
     /* Some parameters have A and B values for free energy calculations.
      * The B values are not used for regular simulations of course.
      * Free Energy for nonbondeds can be computed by changing the atom type.
@@ -112,7 +112,7 @@ typedef union t_iparams {
     } wpol;
     struct
     {
-        real a, alpha1, alpha2, rfac;
+        real a, alpha1, alpha2;
     } thole;
     struct
     {
@@ -360,7 +360,6 @@ enum
 {
     ilsortUNKNOWN,
     ilsortNO_FE,
-    ilsortFE_UNSORTED,
     ilsortFE_SORTED
 };
 
@@ -459,10 +458,10 @@ void pr_ilist(FILE*                  fp,
               const char*            title,
               const t_functype*      functype,
               const InteractionList& ilist,
-              gmx_bool               bShowNumbers,
-              gmx_bool               bShowParameters,
+              bool                   bShowNumbers,
+              bool                   bShowParameters,
               const t_iparams*       iparams);
-void pr_idef(FILE* fp, int indent, const char* title, const t_idef* idef, gmx_bool bShowNumbers, gmx_bool bShowParameters);
+void pr_idef(FILE* fp, int indent, const char* title, const t_idef* idef, bool bShowNumbers, bool bShowParameters);
 
 /*! \brief
  * Properly initialize idef struct.