Make pull with COM from previous step work with MPI

[alexxy/gromacs.git] / src / gromacs / mdtypes / state.h

diff --git a/src/gromacs/mdtypes/state.h b/src/gromacs/mdtypes/state.h
index 6e240b32a081cb5de67e239694940cd080e1b227..1516daac57f390b6a9eb3ce6d77f82def066e41f 100644 (file)
--- a/src/gromacs/mdtypes/state.h
+++ b/src/gromacs/mdtypes/state.h
@@ -94,7 +94,7 @@ enum {
     estORIRE_INITF, estORIRE_DTAV,
     estSVIR_PREV, estNH_VXI, estVETA, estVOL0, estNHPRES_XI, estNHPRES_VXI, estFVIR_PREV,
     estFEPSTATE, estMC_RNG_NOTSUPPORTED, estMC_RNGI_NOTSUPPORTED,
-    estBAROS_INT, estPREVSTEPCOM,
+    estBAROS_INT, estPULLCOMPREVSTEP,
     estNR
 };
 
@@ -217,15 +217,15 @@ class t_state
         ekinstate_t                ekinstate;      //!< The state of the kinetic energy
 
         /* History for special algorithms, should be moved to a history struct */
-        history_t                         hist;            //!< Time history for restraints
-        df_history_t                     *dfhist;          //!< Free-energy history for free energy analysis
-        std::shared_ptr<gmx::AwhHistory>  awhHistory;      //!< Accelerated weight histogram history
+        history_t                         hist;               //!< Time history for restraints
+        df_history_t                     *dfhist;             //!< Free-energy history for free energy analysis
+        std::shared_ptr<gmx::AwhHistory>  awhHistory;         //!< Accelerated weight histogram history
 
-        int                               ddp_count;       //!< The DD partitioning count for this state
-        int                               ddp_count_cg_gl; //!< The DD partitioning count for index_gl
-        std::vector<int>                  cg_gl;           //!< The global cg number of the local cgs
+        int                               ddp_count;          //!< The DD partitioning count for this state
+        int                               ddp_count_cg_gl;    //!< The DD partitioning count for index_gl
+        std::vector<int>                  cg_gl;              //!< The global cg number of the local cgs
 
-        std::vector<double>               com_prev_step;   //!< The COM of the previous step of each pull group
+        std::vector<double>               pull_com_prev_step; //!< The COM of the previous step of each pull group
 };
 
 #ifndef DOXYGEN