Remove gmx custom fixed int (e.g. gmx_int64_t) types

[alexxy/gromacs.git] / src / gromacs / mdtypes / awh-history.h

diff --git a/src/gromacs/mdtypes/awh-history.h b/src/gromacs/mdtypes/awh-history.h
index 1198e135818ab0a98e7a6f52d7dd845e7377303f..b554830e2a34282c50d7f0e03943941465cc5186 100644 (file)
--- a/src/gromacs/mdtypes/awh-history.h
+++ b/src/gromacs/mdtypes/awh-history.h
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2015,2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2015,2016,2017,2018, 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.
@@ -60,17 +60,17 @@ namespace gmx
 //! Grid point state history data.
 struct AwhPointStateHistory
 {
-    double         bias;                   /**< Current biasing function estimate */
-    double         free_energy;            /**< Current estimate of the convolved free energy/PMF. */
-    double         target;                 /**< Current target distribution, normalized to 1 */
-    double         weightsum_iteration;    /**< Accumulated weight this iteration (1 replica) */
-    double         weightsum_covering;     /**< Accumulated weights for covering checks */
-    double         weightsum_tot;          /**< Accumulated weights, never reset */
-    double         weightsum_ref;          /**< The reference weight histogram determining the f updates */
-    gmx_int64_t    last_update_index;      /**< The last update that was performed at this point. */
-    double         log_pmfsum;             /**< Logarithm of the PMF histogram (for 1 replica) */
-    double         visits_iteration;       /**< Visits to this bin this iteration (1 replica) */
-    double         visits_tot;             /**< Accumulated visits to this bin */
+    double         bias;                /**< Current biasing function estimate */
+    double         free_energy;         /**< Current estimate of the convolved free energy/PMF. */
+    double         target;              /**< Current target distribution, normalized to 1 */
+    double         weightsum_iteration; /**< Accumulated weight this iteration (1 replica) */
+    double         weightsum_covering;  /**< Accumulated weights for covering checks */
+    double         weightsum_tot;       /**< Accumulated weights, never reset */
+    double         weightsum_ref;       /**< The reference weight histogram determining the f updates */
+    int64_t        last_update_index;   /**< The last update that was performed at this point. */
+    double         log_pmfsum;          /**< Logarithm of the PMF histogram (for 1 replica) */
+    double         visits_iteration;    /**< Visits to this bin this iteration (1 replica) */
+    double         visits_tot;          /**< Accumulated visits to this bin */
 };
 
 //! The global AWH bias history state, contains most data of the corresponding struct in awh.h.
@@ -84,7 +84,7 @@ struct AwhBiasStateHistory
     double      histSize;                 /**< Size of reference weight histogram. */
     double      logScaledSampleWeight;    /**< The log of the current sample weight, scaled because of the histogram rescaling. */
     double      maxLogScaledSampleWeight; /**< Maximum sample weight obtained for previous (smaller) histogram sizes. */
-    gmx_int64_t numUpdates;               /**< The number of updates. */
+    int64_t     numUpdates;               /**< The number of updates. */
 
     /*! \brief Constructor. */
     AwhBiasStateHistory() : umbrellaGridpoint(0),