diff --git a/src/kspace.cpp b/src/kspace.cpp index cce0735d14..4bbd007dd2 100644 --- a/src/kspace.cpp +++ b/src/kspace.cpp @@ -32,7 +32,7 @@ KSpace::KSpace(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp) energy = 0.0; virial[0] = virial[1] = virial[2] = virial[3] = virial[4] = virial[5] = 0.0; - ewaldflag = pppmflag = msmflag = dispersionflag = tip4pflag = proxyflag = 0; + ewaldflag = pppmflag = msmflag = dispersionflag = tip4pflag = 0; compute_flag = 1; group_group_enable = 0; @@ -151,8 +151,6 @@ void KSpace::pair_check() error->all(FLERR,"KSpace style is incompatible with Pair style"); if (tip4pflag && force->pair->tip4pflag == 0) error->all(FLERR,"KSpace style is incompatible with Pair style"); - if (proxyflag && force->pair->proxyflag == 0) - error->all(FLERR,"KSpace style is incompatible with Pair style"); } /* ---------------------------------------------------------------------- diff --git a/src/kspace.h b/src/kspace.h index 503122eea3..fe668271ff 100644 --- a/src/kspace.h +++ b/src/kspace.h @@ -42,7 +42,6 @@ class KSpace : protected Pointers { int msmflag; // 1 if a MSM solver int dispersionflag; // 1 if a LJ/dispersion solver int tip4pflag; // 1 if a TIP4P solver - int proxyflag; // 1 if a proxy solver double g_ewald,g_ewald_6; int nx_pppm,ny_pppm,nz_pppm; // global FFT grid for Coulombics diff --git a/src/pair.cpp b/src/pair.cpp index b5d5ee1c9e..96d68f6f70 100644 --- a/src/pair.cpp +++ b/src/pair.cpp @@ -65,7 +65,7 @@ Pair::Pair(LAMMPS *lmp) : Pointers(lmp) single_extra = 0; svector = NULL; - ewaldflag = pppmflag = msmflag = dispersionflag = tip4pflag = proxyflag = 0; + ewaldflag = pppmflag = msmflag = dispersionflag = tip4pflag = 0; // pair_modify settings diff --git a/src/pair.h b/src/pair.h index c8d2fc826a..318dca1915 100644 --- a/src/pair.h +++ b/src/pair.h @@ -55,7 +55,6 @@ class Pair : protected Pointers { int msmflag; // 1 if compatible with MSM solver int dispersionflag; // 1 if compatible with LJ/dispersion solver int tip4pflag; // 1 if compatible with TIP4P solver - int proxyflag; // 1 if compatible with proxy solver int tail_flag; // pair_modify flag for LJ tail correction double etail,ptail; // energy/pressure tail corrections diff --git a/src/pair_hybrid.cpp b/src/pair_hybrid.cpp index 4b32c125f6..42b4b056a4 100644 --- a/src/pair_hybrid.cpp +++ b/src/pair_hybrid.cpp @@ -265,8 +265,8 @@ void PairHybrid::settings(int narg, char **arg) // respa_enable = 1 if any sub-style is set // no_virial_fdotr_compute = 1 if any sub-style is set // ghostneigh = 1 if any sub-style is set - // ewaldflag, pppmflag, msmflag, - // dispersionflag, tip4pflag, proxyflag = 1 if any sub-style is set + // ewaldflag, pppmflag, msmflag, dispersionflag, tip4pflag = 1 + // if any sub-style is set single_enable = 0; for (m = 0; m < nstyles; m++) { @@ -279,7 +279,6 @@ void PairHybrid::settings(int narg, char **arg) if (styles[m]->msmflag) msmflag = 1; if (styles[m]->dispersionflag) dispersionflag = 1; if (styles[m]->tip4pflag) tip4pflag = 1; - if (styles[m]->proxyflag) proxyflag = 1; } // single_extra = min of all sub-style single_extra