Add new tutorial image and update code to use KaiEDJ pkg

tutorials/01_manybody_binary_basis.jl

@@ -1,4 +1,6 @@
-include("../src/mybase.jl")
+#include("../src/mybase.jl")
+using KaiEDJ
+
 
 
 function TestBinaryBasisCreAnni()
@@ -15,9 +17,9 @@ function TestBinaryBasisCreAnni()
             println( ("cdagi|state $x> (for $i-th orbital operations) with isocc_zbase(), isemp_zbase(), NFerSwap(), Ntot() ") )
             println( ("   ci|state $x> (for $i-th orbital operations) with isocc_zbase(), isemp_zbase(), NFerSwap(), Ntot() ") )
             println( "OUTPUT ::" )
-            println( format("  |{:s}> {:s} {:s} ; nswap={:d} ntot={:d}",getbittaili(x),   isocc_zbase(x,i)  , isemp_zbase(x,i)  , NFerSwap(x,i)   , OpNtot(x)   ))
-            println( format("  |{:s}> {:s} {:s} ; nswap={:d} ntot={:d}",getbittaili(cdx), isocc_zbase(cdx,i), isemp_zbase(cdx,i), NFerSwap(cdx,i) , OpNtot(cdx) ))
-            println( format("  |{:s}> {:s} {:s} ; nswap={:d} ntot={:d}",getbittaili(cx),  isocc_zbase(cx,i) , isemp_zbase(cx,i) , NFerSwap(cx,i)  , OpNtot(cx)  ))
+            println( KaiEDJ.format("  |{:s}> {:s} {:s} ; nswap={:d} ntot={:d}",getbittaili(x),   isocc_zbase(x,i)  , isemp_zbase(x,i)  , NFerSwap(x,i)   , OpNtot(x)   ))
+            println( KaiEDJ.format("  |{:s}> {:s} {:s} ; nswap={:d} ntot={:d}",getbittaili(cdx), isocc_zbase(cdx,i), isemp_zbase(cdx,i), NFerSwap(cdx,i) , OpNtot(cdx) ))
+            println( KaiEDJ.format("  |{:s}> {:s} {:s} ; nswap={:d} ntot={:d}",getbittaili(cx),  isocc_zbase(cx,i) , isemp_zbase(cx,i) , NFerSwap(cx,i)  , OpNtot(cx)  ))
             println("")
         end
     end
@@ -37,9 +39,9 @@ function TestBinaryBasisNtot()
             println( ("cdagi|state $x> (for $i-th orbital operations)", "isocc_zbase() isemp_zbase(), Ntot()") )
             println( ("   ci|state $x> (for $i-th orbital operations)", "isocc_zbase() isemp_zbase(), Ntot()") )
             println( "OUTPUT ::" )
-            println( format("  |{:s}> {:s} {:s} ; ntot={:d} ",getbittaili(x),   isocc_zbase(x,i)  , isemp_zbase(x,i)  , OpNtot(x)   ))
-            println( format("  |{:s}> {:s} {:s} ; ntot={:d} ",getbittaili(cdx), isocc_zbase(cdx,i), isemp_zbase(cdx,i), OpNtot(cdx) ))
-            println( format("  |{:s}> {:s} {:s} ; ntot={:d} ",getbittaili(cx),  isocc_zbase(cx,i) , isemp_zbase(cx,i) , OpNtot(cx)  ))
+            println( KaiEDJ.format("  |{:s}> {:s} {:s} ; ntot={:d} ",getbittaili(x),   isocc_zbase(x,i)  , isemp_zbase(x,i)  , OpNtot(x)   ))
+            println( KaiEDJ.format("  |{:s}> {:s} {:s} ; ntot={:d} ",getbittaili(cdx), isocc_zbase(cdx,i), isemp_zbase(cdx,i), OpNtot(cdx) ))
+            println( KaiEDJ.format("  |{:s}> {:s} {:s} ; ntot={:d} ",getbittaili(cx),  isocc_zbase(cx,i) , isemp_zbase(cx,i) , OpNtot(cx)  ))
             println("")
         end
     end

tutorials/02_manybody_binary_basis_tensor_operation.jl

@@ -1,4 +1,6 @@
-include("../src/mybase.jl")
+# include("../src/mybase.jl")
+using KaiEDJ
+
 
 println("")
 println(" Vij operation ( Vij |psi> = |psi'> ) :" )
@@ -7,7 +9,7 @@ for x in 1:3
     for i in 1:3 
         for j in 1:3 
             x_new   = act_vij(x,i,j)
-            println(format("C({:d}) A({:d}) |{:s}>  = {:s}", i, j, getbittaili(x), getbittaili(x_new) ))
+            println(KaiEDJ.format("C({:d}) A({:d}) |{:s}>  = {:s}", i, j, getbittaili(x), getbittaili(x_new) ))
         end
     end
 end
@@ -18,6 +20,6 @@ for x in 1:6
     println("")
     for (i,j,k,l) in [ [1,2,3,4], [1,2,2,1], [1,2,1,2], [1,3,2,1] ]
         x_new   = act_vijkl(x,i,j,k,l)
-        println(format("CCAA({}) |{:s}> = {:s}", [i,j,k,l], getbittaili(x), getbittaili(x_new) ))
+        println(KaiEDJ.format("CCAA({}) |{:s}> = {:s}", [i,j,k,l], getbittaili(x), getbittaili(x_new) ))
     end
 end

tutorials/03_manybody_wavefunction_hashingfunction.jl

@@ -1,5 +1,5 @@
-include("../src/mybase.jl")
-
+#include("../src/mybase.jl")
+using KaiEDJ
 
 println("\n######### PARAMETER SETUP ##########")
 norb    = 3

tutorials/04_manybody_wavefunction.jl

@@ -1,5 +1,5 @@
-include("../src/mybase.jl")
-
+#include("../src/mybase.jl")
+using KaiEDJ
 
 init_println("PARAMETER SETUP")
 norb    = 3

tutorials/05_manybody_wavefunction_operations.jl

@@ -1,4 +1,5 @@
-include("../src/mybase.jl")
+#include("../src/mybase.jl")
+using KaiEDJ
 
 
 init_println("PARAMETER SETUP")
@@ -56,25 +57,25 @@ dimN3       = length(hashfsec[isectorN3])
 wfN3_1      = WF(dimN3, hashfsec[isectorN3], hashfinv, isectorN3, Nel )
 v0          = collect(1:dimN3)
 wfN3_1.Probamp = v0
-@show sparse(wfN3_1.Probamp)
+@show KaiEDJ.sparse(wfN3_1.Probamp)
 
 
 println( "" )
 println( "wfN3_2 :: " )
 wfN3_2  = WF(wfN3_1)
-@show sparse(wfN3_2.Probamp)
+@show KaiEDJ.sparse(wfN3_2.Probamp)
 
 println( "OpCAWFadd( tij, wfN3_1, wfN3_2 ) " )
 OpCAWFadd( tij, wfN3_1, wfN3_2 ; outputlevel= 2)
-@show sparse(wfN3_2.Probamp)
+@show KaiEDJ.sparse(wfN3_2.Probamp)
 
 println( "OpCWFadd( cdi, wfN3_1, wfN3_2 ) " )
 OpCWFadd( cdi, wfN3_1, wfN3_2 )
-@show sparse(wfN3_2.Probamp)
+@show KaiEDJ.sparse(wfN3_2.Probamp)
 
 println( "OpAWFadd(  ci, wfN3_1, wfN3_2 ) " )
 OpAWFadd( ci, wfN3_1, wfN3_2 )
-@show sparse(wfN3_2.Probamp)
+@show KaiEDJ.sparse(wfN3_2.Probamp)
 
 println( "" )
 println( "ShowWFBasis(wfN3_1) ") 
@@ -90,7 +91,7 @@ wfN4_1      = WF(dimN4, hashfsec[isectorN4], hashfinv, isectorN4, Nel )
 
 println( "OpCWFadd( cdi, wfN3_1, wfN4_1 ) " )
 OpCWFadd( cdi, wfN3_1, wfN4_1 )
-@show sparse(wfN4_1.Probamp)
+@show KaiEDJ.sparse(wfN4_1.Probamp)
 
 println( "" )
 println( "ShowWFBasis(wfN4_1) ") 
@@ -106,8 +107,8 @@ wfN2_1      = WF(dimN2, hashfsec[isectorN2], hashfinv, isectorN2, Nel )
 
 println( "OpAWFadd( ci, wfN3_1, wfN2_1 ) " )
 OpAWFadd( ci, wfN3_1, wfN2_1 )
-@show sparse(wfN3_1.Probamp)
-@show sparse(wfN2_1.Probamp)
+@show KaiEDJ.sparse(wfN3_1.Probamp)
+@show KaiEDJ.sparse(wfN2_1.Probamp)
 
 println( "" )
 println( "ShowWFBasis(wfN2_1) ") 

tutorials/06_manybody_hamiltonian_diagonalization_singlesite_t2g.jl

@@ -1,5 +1,6 @@
-ENV["PROJECT_PATH_ED"]="../envs/KED"
-include("../src/mybase.jl")
+#ENV["PROJECT_PATH_ED"]="../envs/KED"
+#include("../src/mybase.jl")
+using KaiEDJ
 
 norb        = 3
 nspin       = 2
@@ -65,13 +66,13 @@ for opca in tij
     ConstructHamil_ij!( H, opca, HashF, HashFInv ; outputlevel=2 )
 end
 
-@show issparse(H.MatSparse)
+@show KaiEDJ.issparse(H.MatSparse)
 @show H.MatSparse
-@show ishermitian(H.MatSparse)
-@show issymmetric(H.MatSparse)
+@show KaiEDJ.ishermitian(H.MatSparse)
+@show KaiEDJ.issymmetric(H.MatSparse)
 @show count(!iszero, H.MatSparse)
 
-eigensys    = eigen( collect(H.MatSparse) )
+eigensys    = KaiEDJ.eigen( collect(H.MatSparse) )
 
 for evitem in Iterators.enumerate( eigensys.values ) 
     @show evitem

tutorials/07_manybody_hamiltonian_impurity.jl

@@ -1,4 +1,5 @@
-include("../src/mybase.jl")
+#include("../src/mybase.jl")
+using KaiEDJ
 
 norb        = 1
 nspin       = 2
@@ -72,7 +73,7 @@ for opca in Op_ebathl
 end
 
 @show H.MatSparse
-@show issparse(H.MatSparse)
-@show ishermitian(H.MatSparse)
-@show issymmetric(H.MatSparse)
+@show KaiEDJ.issparse(H.MatSparse)
+@show KaiEDJ.ishermitian(H.MatSparse)
+@show KaiEDJ.issymmetric(H.MatSparse)
 @show count(!iszero, H.MatSparse)

tutorials/08_green_function_impurity_continued_fraction.jl

@@ -1,4 +1,5 @@
-include("../src/mybase.jl")
+#include("../src/mybase.jl")
+using KaiEDJ
 
 ### Impurity Setup ###
 norb        = 1
@@ -37,16 +38,16 @@ for i in 1:nspinorb
     end
 end
 # @show Vil
-println( "Vil : " ) ; writedlm(stdout, Vil)
+println( "Vil : " ) ; KaiEDJ.writedlm(stdout, Vil)
 
 IndOrbUp    = [ i for i in 1:2:2*norb ]
 IndOrbDn    = [ i for i in 2:2:2*norb ]
 IndBathUp   = [ i for i in 1:2:2*nbathHalf ]
 IndBathDn   = [ i for i in 2:2:2*nbathHalf ]
 VilUp   = Vil[ IndOrbUp, IndBathUp ]
 VilDn   = Vil[ IndOrbDn, IndBathDn ]
-println( "Vil Up : " ) ; writedlm(stdout, VilUp)
-println( "Vil Dn : " ) ; writedlm(stdout, VilDn)
+println( "Vil Up : " ) ; KaiEDJ.writedlm(stdout, VilUp)
+println( "Vil Dn : " ) ; KaiEDJ.writedlm(stdout, VilDn)
 
 
 
@@ -73,7 +74,7 @@ enew, vnew  = BathParamReshapePH( BParamUpPH, nbathHalf )
 println( "" )
 println( "Initial-parameters :")
 println( "ebathl after PH : $(enew)" ) 
-println( "Vil Up after PH : " ) ; writedlm(stdout, vnew)
+println( "Vil Up after PH : " ) ; KaiEDJ.writedlm(stdout, vnew)
 println( "" )
 SParam      = ( 
                 Hybiw, 
@@ -85,9 +86,9 @@ SParam      = (
 
 
 ### Optimizer ##
-using Optimization
+using KaiEDJ.Optimization
 prob = OptimizationProblem(GetCostFromFlatPH, BParamUpPH, SParam)
-using OptimizationOptimJL
+using KaiEDJ.OptimizationOptimJL
 maxiters = 2300
 sol = solve(prob, NelderMead() ; maxiters=maxiters)
 @show sol.original
@@ -96,7 +97,7 @@ BParamNew   = [ sol... ]
 enew, vnew  = BathParamReshapePH( BParamNew, nbathHalf )
 println("New parameters for Up")
 @show enew
-writedlm(stdout, vnew)
+KaiEDJ.writedlm(stdout, vnew)
 
 
 
@@ -125,7 +126,7 @@ BParamDnNew   = [ sol... ]
 ednnew, vdnnew  = BathParamReshapePH( BParamDnNew, nbathHalf )
 println("New parameters for Dn")
 @show ednnew
-writedlm(stdout, vdnnew)
+KaiEDJ.writedlm(stdout, vdnnew)
 
 println("New parameters in total")
 ebathl  = zero(ebathl)
@@ -137,7 +138,7 @@ Vil[ IndOrbUp, IndBathUp ]  = deepcopy(vnew)
 Vil[ IndOrbDn, IndBathDn ]  = deepcopy(vdnnew)
 Vil[ IndOrbDn, IndBathDn ]  = deepcopy(vnew)        ## Impose time-reversal sym naively
 @show ebathl
-writedlm(stdout, Vil)
+KaiEDJ.writedlm(stdout, Vil)
 
 
 
@@ -231,14 +232,14 @@ for opca in Op_tij
     ConstructHamil_ij!( H, opca, HashF, HashFInv ; outputlevel=outputlevel)
 end
 
-@show issparse(H.MatSparse)
+@show KaiEDJ.issparse(H.MatSparse)
 @show H.MatSparse
-@show ishermitian(H.MatSparse)
-@show issymmetric(H.MatSparse)
+@show KaiEDJ.ishermitian(H.MatSparse)
+@show KaiEDJ.issymmetric(H.MatSparse)
 @show count(!iszero, H.MatSparse)
 @show size(H.MatSparse)
 
-using Arpack
+using KaiEDJ.Arpack
 
 nev     = 10
 esAr    = eigs( H.MatSparse ; which=:SR , nev = nev )
@@ -253,7 +254,7 @@ println("diff : ", real(esAr[1] .- esAr[1][1]) )
 
 println("")
 println("Ground-states : ")
-println( format("nconv = {}, niter = {} , nmult = {}" ,esAr[3], esAr[4], esAr[5] ) )
+println( KaiEDJ.format("nconv = {}, niter = {} , nmult = {}" ,esAr[3], esAr[4], esAr[5] ) )
 nconvAr = esAr[3]
 gsarr   = Vector{Any}(undef,nconvAr)
 OpSz        = GetOpSz(ntot)
@@ -263,18 +264,18 @@ Szorbval    = Vector{ComplexF64}(undef,nconvAr)
 for i in 1:nconvAr
     gsarr[i]    = esAr[2][:,i]
     prob_i, indBin  = findmax( abs.(gsarr[i]) )
-    println( format("GS $i : Maximal basis states = {} [{}] N={} p={}",
+    println( KaiEDJ.format("GS $i : Maximal basis states = {} [{}] N={} p={}",
                 HashF[indBin], getbittaili(HashF[indBin]), OpNtot(HashF[indBin]), prob_i ))
 end
 println("")
 for i in 1:nconvAr
     gsarr[i]    = esAr[2][:,i]
     prob_i, indBin  = findmax( abs.(gsarr[i]) )
-    println( format("GS $i : Maximal basis states = {} [{}] N={} p={}",
+    println( KaiEDJ.format("GS $i : Maximal basis states = {} [{}] N={} p={}",
                 HashF[indBin], getbittaili(HashF[indBin]), OpNtot(HashF[indBin]), prob_i ))
     gswf    = WF(dimSub, HashF, gsarr[i], wfargs... )
     gswfres = WF(dimSub, HashF, wfargs... )
-    gswf.Probamp    = collect( dropzeros!( sparse(gswf.Probamp) ) )
+    gswf.Probamp    = collect( KaiEDJ.dropzeros!( KaiEDJ.sparse(gswf.Probamp) ) )
 
 
     for opca in OpSz
@@ -397,7 +398,7 @@ yr2  = GetijarrayFromVecMat( yr2, 1, 1 )
 
 bPlot=true
 if bPlot
-    using Plots
+    using KaiEDJ.Plots
     # writedlm( "log", [  wFreq imag(ydat1) imag(ydat2) imag(ydat1+ydat2) ] ) 
     plot( wFreq, [ imag(ydat) imag(yr2) ] )
 end