OpenMCTDHB: moduledefaults.F90 Source File

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00001 !---------------------------------------------------------------------------
00010 MODULE moduledefaults
00011 USE moduleparameters
00012 IMPLICIT NONE
00013 SAVE
00014 
00015 integer*4 :: nConf=0
00016 integer   :: nSuperDiags=0 
00017 
00018 integer   :: RepeatedSteps=0,printscreen=0,iprintNextTiny = 0, 
00019              iprintNext=0,iprintAllNext=0
00020 
00021 integer :: rlaxnum  = 0  !Relaxation to the ground state
00022 
00023 real*8  :: InitStep=0,tau1=0.d0,tau2=0.d0,tau3=0.d0
00024 real*8  :: CVecError=0.d0,PsiError=0.d0,delta=0.d0
00025 
00026 real*8  :: IntPeriod=0.d0,Stepsize=0.d0,norm=0.d0,tau=0.d0,tausave=0.d0
00027 real*8  :: IntegratorTolError=1.d-6,RelaxTolError=1.d-6
00028 real*8  :: ABMIntPeriod=0.d0
00029 logical :: ortho=.true.      
00030 
00031 !---------------- for the Short iterative Lanczos (SIL) ---------------------
00032 
00033 real*8  :: EigenVector(0:SILmaxIntOrder,0:SILmaxIntOrder+2)=0.d0, 
00034            Diagonal(0:SILmaxIntOrder)=0.d0,OffDiag(SILmaxIntOrder)=0.d0,
00035            EigenVal(0:SILmaxIntOrder)=0.d0,OffDg2(SILmaxIntOrder+1)=0.d0
00036 
00037 real*8  :: SILIntPeriod1=0.d0,SILIntPeriod2=0.d0
00038 
00039 !------------------------------------------------------------------------
00040 integer   :: TrueOrder=0,ErrorCode=0, Steps=0
00041 logical   :: RestartSIL=.TRUE.,StdForm  = .TRUE.
00042 
00043 real*8    :: RData(10)=0.d0
00044 integer*4 :: IData(30)=0
00045 logical   :: LData=.false.
00046 real*8    :: energy=0.d0,defect=10.d0
00047 INTEGER   :: totalNoGridPts=0
00048 integer   :: k=0,dilation=1,iFail=1
00049 real*8    :: meanDensity=0.d0
00050 real*8    :: cumulativeProbability=0.d0,printNext=0.d0,printAllNext=0.d0,printNextTiny=0.d0
00051 
00052 character(255) :: identifier=''
00053 
00054 
00055 END MODULE moduledefaults