From c9db24e73a0f52fc9422546afdd9288ca0d6425a Mon Sep 17 00:00:00 2001
From: s2006749 <s2006749@ed.ac.uk>
Date: Tue, 13 Aug 2024 13:46:49 +0100
Subject: [PATCH] flipped sign on torque calc
---
src/forces.f90 | 6 +++---
1 file changed, 3 insertions(+), 3 deletions(-)
diff --git a/src/forces.f90 b/src/forces.f90
index 1877c4e9..961f2607 100644
--- a/src/forces.f90
+++ b/src/forces.f90
@@ -1803,9 +1803,9 @@ contains
mom2 = sum(tunsty(:)) + sum(tconvy(:)) + (-2.0*tconv2_sign+1.0)*sum(tconvy2(:))
mom3 = sum(tunstz(:)) + sum(tconvz(:)) + (-2.0*tconv2_sign+1.0)*sum(tconvz2(:))
- dra1 = -(sum(tdiffx) + sum(tdiffx2) + tp1 - mom1)
- dra2 = -(sum(tdiffy) + sum(tdiffy2) + tp2 - mom2)
- dra3 = -(sum(tdiffz) + sum(tdiffz2) + tp3 - mom3)
+ dra1 = (sum(tdiffx) + sum(tdiffx2) + tp1 - mom1)
+ dra2 = (sum(tdiffy) + sum(tdiffy2) + tp2 - mom2)
+ dra3 = (sum(tdiffz) + sum(tdiffz2) + tp3 - mom3)
! do k=1,zsize(3)
--
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