From 5c6efb40f2fe0ec613245f1043fe7aaca67cf044 Mon Sep 17 00:00:00 2001
From: tornikeo <56438982+tornikeo@users.noreply.github.com>
Date: Sun, 17 Nov 2024 15:50:22 +0100
Subject: [PATCH] Fix fragip losing shape info by bad assignment

---
 src/write_fragments.f90 | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/write_fragments.f90 b/src/write_fragments.f90
index 140b0da..17d6b35 100644
--- a/src/write_fragments.f90
+++ b/src/write_fragments.f90
@@ -116,7 +116,7 @@ subroutine manage_fragments(nuc, iat, xyz, axyz, mchrg, qat, spin, mass, &
 fg: if ( nfrag > 1 ) then
 
       do i = 1, nfrag
-        fragip(i,0) = 0.0_wp
+        fragip(i,1) = 0.0_wp
         do j = 1, abs(mchrg)
           ip_diff(i,j) = fragip(i,j) - fragip(i,j-1)