From 7120b81ba4a4d12941d2cd116f776bc186ef08f3 Mon Sep 17 00:00:00 2001
From: nnardoto <nnardoto@gmail.com>
Date: Tue, 17 Sep 2024 23:00:31 -0300
Subject: [PATCH] wannier90 file reader done, DANGER: under test

---
 utility/wannier2xatu/utils.f90 |  55 ++++++++++++++++++++++++++++-----
 utility/wannier2xatu/utils.mod | Bin 203 -> 0 bytes
 2 files changed, 48 insertions(+), 7 deletions(-)
 delete mode 100644 utility/wannier2xatu/utils.mod

diff --git a/utility/wannier2xatu/utils.f90 b/utility/wannier2xatu/utils.f90
index 36bfbad..ddadba6 100644
--- a/utility/wannier2xatu/utils.f90
+++ b/utility/wannier2xatu/utils.f90
@@ -1,21 +1,24 @@
  module utils
     public :: LoadSystem
+    public :: Export2Xatu
 
     private
-        character(len=:), allocatable :: FileName
-        !integer, allocatable          :: iRn(:,:)
-        !real(kind = 8), allocatable   :: H(:,:,:)
+        character(len=:), allocatable  :: FileName
+        integer                        :: nFock, mSize
+        integer, allocatable           :: Degen(:)
+        real(kind = 8)                 :: Rn(3, 3)
+        integer, allocatable           :: iRn(:,:)
+        complex(kind = 8), allocatable :: H(:,:,:)
         !VARIAVEL PARA O MOTIF
 
         !todo
         !w90 hamiltoniana
         !.model hamiltoniana
-
     contains
         subroutine LoadArguments()
             implicit none
             integer N
-
+    
             call get_command_argument(1, length = N)
             allocate(character(N) :: FileName)
             call get_command_argument(1, FileName)  
@@ -24,11 +27,49 @@ subroutine LoadArguments()
         end subroutine LoadArguments
 
         subroutine LoadSystem
+            integer        ::  fp, ii, jj, i, j
+            real(kind = 8) ::  R, Im
+            
+            !read filename by terminal arguments
             call LoadArguments()
 
-            !!  Implementar a leitura do arquivo wannier90 aqui
-        end subroutine
+            ! open as newunit
+            open(action = 'read', file=FileName, newunit = fp)
+                read(fp, *)
+                read(fp, *) Rn(1, :)
+                read(fp, *) Rn(2, :)
+                read(fp, *) Rn(3, :)
+                read(fp, *) mSize
+                read(fp, *) nFock 
+           
+                ! time to allocate
+                allocate(H(nFock, mSize, mSize))
+                allocate(degen(nFock))
+                allocate(iRn(nFock, 3))
+
+                ! degen read, 15 elements by line
+                do i = 1, (nFock / 15)
+                    read(fp, *) Degen((i - 1)*15 + 1:(i - 1)*15 + 15)
+                enddo
+       
+                ! Last line of degenerecences
+                read(fp, *) Degen((i - 1)*15 + 1:(i - 1)*15 + MOD(nFock, 15))  
+                read(fp, *)
+                
+                ! begin hamiltonian read
+                do i = 1, nFock
+                    read(fp, *) iRn(i, :)
+                    do j = 1, mSize*mSize
+                        read(fp, *) ii, jj, R, Im
+                        H(i, ii, jj) = complex(R, Im)
+                    enddo
+                    if (i < nFock) read(fp, *)
+                enddo
+                close(fp)
+        
+        end subroutine LoadSystem
 
+        !!  Implementar a escrita do xatu.model aqui
         subroutine Export2Xatu()
         end subroutine
 end module utils
diff --git a/utility/wannier2xatu/utils.mod b/utility/wannier2xatu/utils.mod
deleted file mode 100644
index 6be38a4d5307f745f6b7896c931857c6fac2ef2a..0000000000000000000000000000000000000000
GIT binary patch
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