--- trunk/mdtools/headers/mpiComponentPlan.h 2002/12/16 21:42:14 214 +++ trunk/mdtools/headers/mpiComponentPlan.h 2002/12/19 21:59:51 215 @@ -6,6 +6,10 @@ typdef struct{ typdef struct{ int nMolGlobal; int nAtomsGlobal; + int nBondsGlobal; + int nBendsGlobal; + int nTorsionsGlobal; + int nSRIGlobal; int myMolStart; int myMolEnd; int myAtomStart; @@ -22,7 +26,7 @@ typdef struct{ int nComponentsColumn; int rowIndex; int columnIndex; -} mpiComponentPlan; +} mpiSimData; #endif @@ -33,6 +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