From 1a258d4349ce1d2d25b215206d90d360d9c0084c Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 11 Jul 2024 13:32:56 -0400
Subject: [PATCH] The post_force callback should also be called during "setup"

---
 src/PYTHON/fix_python_invoke.cpp | 7 +++++++
 src/PYTHON/fix_python_invoke.h   | 1 +
 2 files changed, 8 insertions(+)

diff --git a/src/PYTHON/fix_python_invoke.cpp b/src/PYTHON/fix_python_invoke.cpp
index 786c48568d..281379cda4 100644
--- a/src/PYTHON/fix_python_invoke.cpp
+++ b/src/PYTHON/fix_python_invoke.cpp
@@ -105,6 +105,13 @@ void FixPythonInvoke::end_of_step()
 
 /* ---------------------------------------------------------------------- */
 
+void FixPythonInvoke::setup(int vflag)
+{
+  post_force(vflag);
+}
+
+/* ---------------------------------------------------------------------- */
+
 void FixPythonInvoke::post_force(int vflag)
 {
   if (update->ntimestep % nevery != 0) return;
diff --git a/src/PYTHON/fix_python_invoke.h b/src/PYTHON/fix_python_invoke.h
index 12f463501f..09382e5780 100644
--- a/src/PYTHON/fix_python_invoke.h
+++ b/src/PYTHON/fix_python_invoke.h
@@ -30,6 +30,7 @@ class FixPythonInvoke : public Fix {
   FixPythonInvoke(class LAMMPS *, int, char **);
   ~FixPythonInvoke() override;
   int setmask() override;
+  void setup(int) override;
   void end_of_step() override;
   void post_force(int) override;