diff --git a/src/ML-POD/eapod.cpp b/src/ML-POD/eapod.cpp index 7af45c3866..11dace1f28 100644 --- a/src/ML-POD/eapod.cpp +++ b/src/ML-POD/eapod.cpp @@ -35,7 +35,7 @@ using MathConst::MY_PI; using MathSpecial::cube; using MathSpecial::powint; -#define MAXLINE 1024 +static constexpr int MAXLINE=1024; // constructor EAPOD::EAPOD(LAMMPS *_lmp, const std::string &pod_file, const std::string &coeff_file) : @@ -229,7 +229,6 @@ void EAPOD::read_pod_file(std::string pod_file) P44 = utils::inumeric(FLERR,words[1],false,lmp); } } - // if (nrbf2 < nrbf3) error->all(FLERR,"number of three-body radial basis functions must be equal or less than number of two-body radial basis functions"); if (nrbf3 < nrbf4) error->all(FLERR,"number of four-body radial basis functions must be equal or less than number of three-body radial basis functions"); if (nrbf4 < nrbf33) error->all(FLERR,"number of five-body radial basis functions must be equal or less than number of four-body radial basis functions"); if (nrbf4 < nrbf34) error->all(FLERR,"number of six-body radial basis functions must be equal or less than number of four-body radial basis functions"); @@ -642,7 +641,7 @@ int EAPOD::read_coeff_file(std::string coeff_file) return ncoeffall; } -//funcion to read the projection matrix from file. +// funcion to read the projection matrix from file. int EAPOD::read_projection_matrix(std::string proj_file) { std::string projfilename = proj_file;