From 24bc85f87dff88f11a7a7e55e2a1106c3644fa50 Mon Sep 17 00:00:00 2001
From: Zhuoyuan <75076820+ZLI-afk@users.noreply.github.com>
Date: Sat, 13 Jan 2024 12:49:29 +0800
Subject: [PATCH] fix: remove all tmp potential model files

---
 apex/op/property_ops.py          | 6 ++++--
 apex/reporter/property_report.py | 2 +-
 2 files changed, 5 insertions(+), 3 deletions(-)

diff --git a/apex/op/property_ops.py b/apex/op/property_ops.py
index 3ea5f74..6bc9d0d 100644
--- a/apex/op/property_ops.py
+++ b/apex/op/property_ops.py
@@ -261,8 +261,10 @@ def execute(self, op_in: OPIO) -> OPIO:
         )
         # remove potential files in each md task
         os.chdir(abs_path_to_prop)
-        cmd = "for kk in task.*; do cd $kk; rm *.pb; cd ..; done"
-        subprocess.call(cmd, shell=True)
+        inter_files_name = inter_param["model"]
+        for file in inter_files_name:
+            cmd = f"for kk in task.*; do cd $kk; rm -f {file}; cd ..; done"
+            subprocess.call(cmd, shell=True)
 
         os.chdir(cwd)
         out_path = Path(cwd) / 'retrieve_pool'
diff --git a/apex/reporter/property_report.py b/apex/reporter/property_report.py
index 12d3dd9..9ce860c 100644
--- a/apex/reporter/property_report.py
+++ b/apex/reporter/property_report.py
@@ -309,7 +309,7 @@ def dash_table(res_data: dict, decimal: int = 3, **kwargs) -> dash_table.DataTab
             struct_e.append(float(v[1]))
             equi_e.append(float(v[2]))
         df = pd.DataFrame({
-            "Interstitial type": inter_struct,
+            "Initial configuration ": inter_struct,
             "E_form (eV)": round_format(inter_form_e, decimal),
             "E_defect (eV)": round_format(struct_e, decimal),
             "E_equi (eV)": round_format(equi_e, decimal),