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

diff --git a/src/gromacs/mdlib/expanded.h b/src/gromacs/mdlib/expanded.h
index 48a63de024c6421026080f2d3c47e031f14e522f..6f6bec9804e6b71c5d4d6e872c0c7dc540b5e8c8 100644 (file)
--- a/src/gromacs/mdlib/expanded.h
+++ b/src/gromacs/mdlib/expanded.h
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2017,2018,2019, 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.
@@ -50,17 +50,28 @@ struct t_mdatoms;
 struct t_simtemp;
 class t_state;
 
-void init_npt_masses(const t_inputrec *ir, t_state *state, t_extmass *MassQ, gmx_bool bInit);
+void init_npt_masses(const t_inputrec* ir, t_state* state, t_extmass* MassQ, gmx_bool bInit);
 
-void init_expanded_ensemble(gmx_bool bStateFromCP, const t_inputrec *ir, df_history_t *dfhist);
+void init_expanded_ensemble(gmx_bool bStateFromCP, const t_inputrec* ir, df_history_t* dfhist);
 
-int ExpandedEnsembleDynamics(FILE *log, const t_inputrec *ir, const gmx_enerdata_t *enerd,
-                             t_state *state, t_extmass *MassQ, int fep_state, df_history_t *dfhist,
-                             int64_t step,
-                             rvec *v, const t_mdatoms *mdatoms);
+int ExpandedEnsembleDynamics(FILE*                 log,
+                             const t_inputrec*     ir,
+                             const gmx_enerdata_t* enerd,
+                             t_state*              state,
+                             t_extmass*            MassQ,
+                             int                   fep_state,
+                             df_history_t*         dfhist,
+                             int64_t               step,
+                             rvec*                 v,
+                             const t_mdatoms*      mdatoms);
 
-void PrintFreeEnergyInfoToFile(FILE *outfile, const t_lambda *fep, const t_expanded *expand,
-                               const t_simtemp *simtemp, const df_history_t *dfhist,
-                               int fep_state, int frequency, int64_t step);
+void PrintFreeEnergyInfoToFile(FILE*               outfile,
+                               const t_lambda*     fep,
+                               const t_expanded*   expand,
+                               const t_simtemp*    simtemp,
+                               const df_history_t* dfhist,
+                               int                 fep_state,
+                               int                 frequency,
+                               int64_t             step);
 
 #endif