* 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.
#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.
} wpol;
struct
{
- real a, alpha1, alpha2, rfac;
+ real a, alpha1, alpha2;
} thole;
struct
{
{
ilsortUNKNOWN,
ilsortNO_FE,
- ilsortFE_UNSORTED,
ilsortFE_SORTED
};
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.