fixed bug in PhU_sit write.

xh125 · Sep 15, 2021 · 04757b5 · 04757b5
1 parent 9682faf
commit 04757b5
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Showing 2 changed files with 7 additions and 5 deletions.
diff --git a/src_complex/lvcsh.f90 b/src_complex/lvcsh.f90
@@ -536,8 +536,8 @@ program lvcsh
     write(stdout,"(A,I4)") "Number of nodes for non-adiabatic calculation:",nnode
     write(stdout,"(A,I4)") "Number of samples for each node:",ncore    
     naver_sum = naver*nnode*ncore
-    phQsit = 0.0
-    phPsit = 0.0
+    phQsit = czero
+    phPsit = czero
     phKsit = 0.0
     phUsit = 0.0
 

diff --git a/src_complex/saveinf.f90 b/src_complex/saveinf.f90
@@ -227,7 +227,8 @@ subroutine read_phK(inode,icore,nmodes,nq,nsnap,phKsit)
 		real(kind=dp),allocatable :: phKsit_(:,:,:)
 
 		if(.not. allocated(phKsit_)) allocate(phKsit_(nmodes,nq,0:nsnap))
-
+		phKsit_ = 0.0
+
 		write(ctmp1,*) inode
 		write(ctmp2,*) icore
 		phK_file_ = "./node"//trim(adjustl(ctmp1))//"/sample"//trim(adjustl(ctmp2))//"/"//trim(outdir)//trim(adjustl(phK_file))
@@ -311,14 +312,15 @@ subroutine read_phU(inode,icore,nmodes,nq,nsnap,phUsit)
 		real(kind=dp),allocatable :: phUsit_(:,:,:)
 
 		if(.not. allocated(phUsit_)) allocate(phUsit_(nmodes,nq,0:nsnap))
-
+		phUsit_ = 0.0
+
 		write(ctmp1,*) inode
 		write(ctmp2,*) icore
 		phU_file_ = "./node"//trim(adjustl(ctmp1))//"/sample"//trim(adjustl(ctmp2))//"/"//trim(outdir)//trim(adjustl(phU_file))
     phu_unit = io_file_unit()
     call open_file(phU_file_,phu_unit)
 
-    do i=1,3
+    do i=1,4
       read(phu_unit,*)
 		enddo	
     do isnap=0,nsnap