From b41a177dffb621552057912bb6a43b353eed08cd Mon Sep 17 00:00:00 2001
From: SY Wang <uwsy1059@qq.com>
Date: Tue, 3 Mar 2026 17:35:01 +0800
Subject: [PATCH] Reduce allowed minimum distance to 0.6 angstrom squared in
 DFT-MC (#4897)

---
 src/motion/mc/mc_coordinates.F | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/motion/mc/mc_coordinates.F b/src/motion/mc/mc_coordinates.F
index 2bda0c9f6a..d675054f4d 100644
--- a/src/motion/mc/mc_coordinates.F
+++ b/src/motion/mc/mc_coordinates.F
@@ -96,7 +96,7 @@ CONTAINS
 
 ! initialize some stuff
       loverlap = .FALSE.
-      rmin = 3.57106767_dp ! 1 angstrom squared
+      rmin = 1.28558315_dp ! 0.6 angstrom squared
 
 ! get the particle coordinates and the cell length
       CALL force_env_get(force_env, cell=cell, subsys=oldsys)