--- trunk/OOPSE/libmdtools/mpiComponentPlan.h 2003/03/26 18:02:18 405 +++ trunk/OOPSE/libmdtools/mpiComponentPlan.h 2004/05/27 00:48:12 1198 @@ -1,31 +1,39 @@ #ifdef __C -/** This header provides dual access for mpiComponenPlan +#ifndef __MPICOMPONENTPLAN_H__ +#define __MPICOMPONENTPLAN_H__ + +/** This header provides dual access for mpiComponentPlan structure in fortran and in c, C++. */ typedef struct{ int nMolGlobal; int nAtomsGlobal; + int nGroupsGlobal; int nBondsGlobal; int nBendsGlobal; int nTorsionsGlobal; int nSRIGlobal; - int myNMol; - int myNlocal; + int nMolLocal; + int nAtomsLocal; + int nGroupsLocal; int myNode; - int numberProcessors; + int nProcessors; int rowComm; int columnComm; - int numberRows; - int numberColumns; - int nComponentsRow; - int nComponentsColumn; + int nRows; + int nColumns; + int nAtomsInRow; + int nAtomsInColumn; + int nGroupsInRow; + int nGroupsInColumn; int rowIndex; int columnIndex; } mpiSimData; +#endif // __MPICOMPONENTPLAN_H__ -#endif +#endif // __C #ifdef __FORTRAN90 @@ -33,20 +41,24 @@ type, public :: mpiComponentPlan sequence integer :: nMolGlobal = 0 integer :: nAtomsGlobal = 0 + integer :: nGroupsGlobal = 0 integer :: nBondsGlobal = 0 integer :: nBendsGlobal = 0 integer :: nTorsionsGlobal = 0 integer :: nSRIGlobal = 0 - integer :: myNMol = 0 - integer :: myNlocal = 0 + integer :: nMolLocal = 0 + integer :: nAtomsLocal = 0 + integer :: nGroupsLocal = 0 integer :: myNode = 0 - integer :: numberProcessors = 0 + integer :: nProcessors = 0 integer :: rowComm = 0 integer :: columnComm = 0 - integer :: numberRows = 0 - integer :: numberColumns = 0 - integer :: nComponentsRow = 0 - integer :: nComponentsColumn = 0 + integer :: nRows = 0 + integer :: nColumns = 0 + integer :: nAtomsInRow = 0 + integer :: nAtomsInColumn = 0 + integer :: nGroupsInRow = 0 + integer :: nGroupsInColumn = 0 integer :: rowIndex = 0 integer :: columnIndex = 0 end type mpiComponentPlan