diff --git a/src/ML-PACE/pair_pace_extrapolation.cpp b/src/ML-PACE/pair_pace_extrapolation.cpp index 26de937ddb..0ffafb21fc 100644 --- a/src/ML-PACE/pair_pace_extrapolation.cpp +++ b/src/ML-PACE/pair_pace_extrapolation.cpp @@ -25,7 +25,6 @@ Copyright 2022 Yury Lysogorskiy^1, Anton Bochkarev^1, Matous Mrovec^1, Ralf Drau #include "atom.h" #include "comm.h" -#include "dump_custom.h" #include "error.h" #include "force.h" #include "math_const.h" @@ -44,7 +43,6 @@ Copyright 2022 Yury Lysogorskiy^1, Anton Bochkarev^1, Matous Mrovec^1, Ralf Drau #include "ace_b_evaluator.h" #include "ace_recursive.h" #include "ace_version.h" -//#include "compute_pace_extrapolation.h" namespace LAMMPS_NS { struct ACEALImpl {