Merge pull request #117 from SotaYoshida/dev

Dev

Project.toml

@@ -1,7 +1,7 @@
 name = "NuclearToolkit"
 uuid = "89bb3bae-bcec-43ae-87b7-9dd181dc6334"
 authors = ["SotaYoshida <[email protected]> and contributors"]
-version = "0.4.1"
+version = "0.4.2"
 
 [deps]
 Arpack = "7d9fca2a-8960-54d3-9f78-7d1dccf2cb97"

src/ShellModel/eigenvector_continuation.jl

@@ -100,11 +100,11 @@ function readRvecs!(mdim,inpf,tJ,vecs,wfinfos;num=100)
 end
 
 function prepEC(Hs,target_nuc,num_ev,num_ECsample,tJ,mode;
-                num_history=3,lm=100,ls=15,tol=1.e-9,q=1,
+                num_history=3,lm=400,ls=15,tol=1.e-9,q=1,
                 path_to_samplewav="",calc_moment=true,
                 save_wav = false,tdmatdir="./tdmat/",
                 gfactors = [1.0,0.0,5.586,-3.826],
-                effcharge=[1.5,0.5],debugmode=false,doublelanczos=true)
+                effcharge=[1.5,0.5],debugmode=false,doublelanczos=true,is_show=false)
     to = TimerOutput()
     sntf = Hs[1]    
     Anum = parse(Int64, match(reg,target_nuc).match)
@@ -292,7 +292,9 @@ function prepEC(Hs,target_nuc,num_ev,num_ECsample,tJ,mode;
             close(io)
         end
     end
-    show_TimerOutput_results(to)
+    if is_show
+        show_TimerOutput_results(to)
+    end
     return nothing
 end
 
@@ -448,7 +450,9 @@ function solveEC(Hs,target_nuc,tJNs;
     if length(Hs) > 1 && exact_logf != "" 
         @timeit to "scatter plot" plot_EC_scatter(target_nuc,Hs,sumV,tJNs,Dims,exlines)
     end
-    show_TimerOutput_results(to)
+    if is_show
+        show_TimerOutput_results(to)
+    end
     return nothing
 end
 
@@ -583,8 +587,10 @@ function solveEC_UQ(Hs,target_nuc,tJNs,Erefs,errors;
     #            "std: ", @sprintf("%10.4f ", std([iThetas[i][n] for i =1:Ns])))
     #end
     println(tx)    
-    write_history(iThetas,Ts,llhs,tJNs,Ens)   
-    show_TimerOutput_results(to)
+    write_history(iThetas,Ts,llhs,tJNs,Ens)
+    if is_show
+        show_TimerOutput_results(to)
+    end
     println("")
     return nothing
 end

src/ShellModel/lanczos_methods.jl

@@ -134,7 +134,6 @@ function Jlanczos(Jvs,Jmat,TF,JTF,Jtol,Jvret,pbits,nbits,tdims,eval_jj,
             ReORTH(it,vkp1,svs)
 
             beta = sqrt(dot(vkp1,vkp1))
-            println("    betaJ $beta")
             #if beta < 1.e-4;eljit=it;TF[1]=true;JTF[1]=true;break;end
             vkp1 .*= 1.0/beta
             Jmat[it+1,it] = beta; Jmat[it,it+1] = beta

test/HFMBPT_IMSRG_test.jl

@@ -51,7 +51,7 @@
     @testset "testing DMD" begin      
         nuc = "He4"; emax = 2; hw = 20
         s_pred = [30.0, 50.0]
-        ds = 0.25; smin = 15.0
+        ds = 0.5; smin = 15.0
         # generating Omega 
         sntf = "tbme_emn500n4lo_2n3n_srg10.0hw20emax2.snt.bin"
         pid = getpid()
@@ -73,4 +73,4 @@
         end
     end
 
-end
+end

test/ShellModel_test.jl

@@ -38,7 +38,7 @@
 end
 
 @testset  "Testing EC on shell model" begin
-    target_nuc = "O18"
+    target_nuc = "O20"
     num_ev = 3
     targetJ = 0
     sntpath = "interaction_file/random_snts/"
@@ -57,7 +57,7 @@ end
     @test prepEC(Hs,target_nuc,num_ev,num_ECsample,targetJ,mode;path_to_samplewav=spath,save_wav=true) == nothing
 
     println("make TDmat...")
-    num_ECsamples = length(Hs)
+    num_ECsample = length(Hs)
     mode = "TD"
     @test prepEC(Hs,target_nuc,num_ev,num_ECsample,targetJ,mode;path_to_samplewav=spath) == nothing
 

test/parameters/optional_parameters_forDMD.jl

@@ -10,7 +10,7 @@ chi_order = 3; pottype="em500n3lo"
 
 ### --- IMSRG ---
 smax = 500.0
-dsmax = 0.25
+dsmax = 0.5
 denominatorDelta=0.0
 BetaCM = 0.0
-magnusmethod="NS"
+magnusmethod="NS"

test/parameters/optional_parameters_forDMD.jl~

@@ -0,0 +1,16 @@
+###--- ChiralEFT ---
+n_mesh = 50
+emax = 2
+calc_NN = true
+calc_3N = false
+hw = 20.0
+srg = false
+tbme_fmt = "snt.bin"
+chi_order = 3; pottype="em500n3lo"
+
+### --- IMSRG ---
+smax = 500.0
+dsmax = 0.25
+denominatorDelta=0.0
+BetaCM = 0.0
+magnusmethod="NS"

test/runtests.jl

@@ -4,9 +4,6 @@ using Test
 using Printf
 
 @testset "NuclearToolkit.jl" begin
-    println("pwd: ", pwd())
-    println("readdir() ",readdir("interaction_file"))
-
     include("chiEFTint_test.jl")
     include("HFMBPT_IMSRG_test.jl")
     include("ShellModel_test.jl")