From 4810a465d7e7d94c711e802bd02cb65509556981 Mon Sep 17 00:00:00 2001
From: root <pxlxingliang>
Date: Sat, 11 Oct 2025 11:02:31 +0800
Subject: [PATCH] refactor: output the latest structure to STRU_NOW.cif in
 relax/cell-relax

---
 source/module_relax/relax_driver.cpp | 9 +++++----
 1 file changed, 5 insertions(+), 4 deletions(-)

diff --git a/source/module_relax/relax_driver.cpp b/source/module_relax/relax_driver.cpp
index 9cb67e6090..cd27ae0343 100644
--- a/source/module_relax/relax_driver.cpp
+++ b/source/module_relax/relax_driver.cpp
@@ -108,6 +108,11 @@ void Relax_Driver::relax_driver(ModuleESolver::ESolver* p_esolver, UnitCell& uce
                                   need_orb,
                                   PARAM.globalv.deepks_setorb,
                                   GlobalV::MY_RANK);
+            
+            ModuleIO::CifParser::write(PARAM.globalv.global_out_dir + "STRU_NOW.cif",
+                                       ucell,
+                                       "# Generated by ABACUS ModuleIO::CifParser",
+                                       "data_?");
 
             if (Ions_Move_Basic::out_stru)
             {
@@ -121,10 +126,6 @@ void Relax_Driver::relax_driver(ModuleESolver::ESolver* p_esolver, UnitCell& uce
                                       need_orb,
                                       PARAM.globalv.deepks_setorb,
                                       GlobalV::MY_RANK);
-                ModuleIO::CifParser::write(PARAM.globalv.global_out_dir + "STRU_NOW.cif",
-                                           ucell,
-                                           "# Generated by ABACUS ModuleIO::CifParser",
-                                           "data_?");
             }
 
             ModuleIO::output_after_relax(stop, p_esolver->conv_esolver, GlobalV::ofs_running);