OpenMCTDHB v2.3
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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