From 25f670a8e186b28dc7fc4adf803b57542c64542d Mon Sep 17 00:00:00 2001
From: Vikrant Tripathy <vikranttripathy65@gmail.com>
Date: Wed, 2 Oct 2024 20:42:45 -0700
Subject: [PATCH] missed file from previous commit

---
 src/subs/symmetrize.f90 | 35 +++++++++++++++++++++++++++++++++++
 1 file changed, 35 insertions(+)
 create mode 100644 src/subs/symmetrize.f90

diff --git a/src/subs/symmetrize.f90 b/src/subs/symmetrize.f90
new file mode 100644
index 00000000..4dccc710
--- /dev/null
+++ b/src/subs/symmetrize.f90
@@ -0,0 +1,35 @@
+!---------------------------------------------------------!
+!  Symmetrize either upper or lower square matrix         !
+!                                                         !
+!  Parameters:                                            !
+!      UPLO     'U'                                       !
+!               'L'                                       !
+!      mat      N * N matrix                              !
+!      N        size of the matrix                        !
+!---------------------------------------------------------!
+
+ subroutine symmetrize(UPLO,mat,N)
+  implicit none
+
+  integer :: iatom, jatom, N
+  double precision :: mat(N,N)
+  character :: UPLO
+
+  if (UPLO == 'U') then
+    do iatom = 2,N
+      do jatom = 1,iatom - 1
+        mat(iatom,jatom) = mat(jatom,iatom)
+      end do
+    end do
+  else if (UPLO == 'L') then
+    do iatom = 2,N
+      do jatom = 1,iatom - 1
+        mat(jatom,iatom) = mat(iatom,jatom)
+      end do
+    end do
+  else
+     call QuickErr('UPLO has to be either U or L in symmetrize')
+    Return
+  end if
+
+ end subroutine symmetrize