ICODE-ADC/lammps
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The post_force callback should also be called during "setup"

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This commit is contained in:
Axel Kohlmeyer
2024-07-11 13:32:56 -04:00
parent 9e917412c9
commit c1c1d32136
2 changed files with 8 additions and 0 deletions
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7
src/PYTHON/fix_python_invoke.cpp
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@ -105,6 +105,13 @@ void FixPythonInvoke::end_of_step()
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
void FixPythonInvoke::setup(int vflag)
{
post_force(vflag);
}
/* ---------------------------------------------------------------------- */
void FixPythonInvoke::post_force(int vflag) void FixPythonInvoke::post_force(int vflag)
{ {
if (update->ntimestep % nevery != 0) return; if (update->ntimestep % nevery != 0) return;

1
src/PYTHON/fix_python_invoke.h
View File

@ -30,6 +30,7 @@ class FixPythonInvoke : public Fix {
FixPythonInvoke(class LAMMPS *, int, char **); FixPythonInvoke(class LAMMPS *, int, char **);
~FixPythonInvoke() override; ~FixPythonInvoke() override;
int setmask() override; int setmask() override;
void setup(int) override;
void end_of_step() override; void end_of_step() override;
void post_force(int) override; void post_force(int) override;