--- trunk/mdtools/headers/mpiComponentPlan.h 2002/12/10 22:15:00 204 +++ trunk/mdtools/headers/mpiComponentPlan.h 2003/01/30 15:20:21 253 @@ -1,11 +1,15 @@ #ifdef __C -/* This header provides dual access for mpi structure in fortran and in - c, C++ +/** This header provides dual access for mpiComponenPlan + structure in fortran and in c, C++. */ -typdef struct{ +typedef struct{ int nMolGlobal; int nAtomsGlobal; + int nBondsGlobal; + int nBendsGlobal; + int nTorsionsGlobal; + int nSRIGlobal; int myMolStart; int myMolEnd; int myAtomStart; @@ -20,7 +24,9 @@ typdef struct{ int numberColumns; int nComponentsRow; int nComponentsColumn; -} mpiComponentPlan; + int rowIndex; + int columnIndex; +} mpiSimData; #endif @@ -31,6 +37,10 @@ type, public :: mpiComponentPlan sequence integer :: nMolGlobal = 0 integer :: nAtomsGlobal = 0 + integer :: nBondsGlobal = 0 + integer :: nBendsGlobal = 0 + integer :: nTorsionsGlobal = 0 + integer :: nSRIGlobal = 0 integer :: myMolStart = 0 integer :: myMolEnd = 0 integer :: myAtomStart = 0 @@ -45,6 +55,8 @@ type, public :: mpiComponentPlan integer :: numberColumns = 0 integer :: nComponentsRow = 0 integer :: nComponentsColumn = 0 + integer :: rowIndex = 0 + integer :: columnIndex = 0 end type mpiComponentPlan #endif