From 545e40f107b3317f8f02c9c8a484995e12eef331 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Sebastian=20H=C3=BCtter?= Date: Mon, 19 Mar 2018 13:33:58 +0100 Subject: [PATCH] MEAM/C: Remove unused function --- src/USER-MEAMC/meam.h | 1 - src/USER-MEAMC/meam_setup_done.cpp | 22 ---------------------- 2 files changed, 23 deletions(-) diff --git a/src/USER-MEAMC/meam.h b/src/USER-MEAMC/meam.h index c562cb52d9..8021e0c2c8 100644 --- a/src/USER-MEAMC/meam.h +++ b/src/USER-MEAMC/meam.h @@ -208,7 +208,6 @@ protected: void get_sijk(double, int, int, int, double*); void get_densref(double, int, int, double*, double*, double*, double*, double*, double*, double*, double*); void interpolate_meam(int); - double compute_phi(double, int, int); public: void meam_setup_global(int nelt, lattice_t* lat, double* z, int* ielement, double* atwt, double* alpha, diff --git a/src/USER-MEAMC/meam_setup_done.cpp b/src/USER-MEAMC/meam_setup_done.cpp index 5059fc879f..fa71dba236 100644 --- a/src/USER-MEAMC/meam_setup_done.cpp +++ b/src/USER-MEAMC/meam_setup_done.cpp @@ -770,25 +770,3 @@ MEAM::interpolate_meam(int ind) this->phirar6[ind][j] = 3.0 * this->phirar3[ind][j] / drar; } } - -//--------------------------------------------------------------------- -// Compute Rose energy function, I.16 -// -double -MEAM::compute_phi(double rij, int elti, int eltj) -{ - double pp; - int ind, kk; - - ind = this->eltind[elti][eltj]; - pp = rij * this->rdrar; - kk = (int)pp; - kk = std::min(kk, this->nrar - 2); - pp = pp - kk; - pp = std::min(pp, 1.0); - double result = - ((this->phirar3[ind][kk] * pp + this->phirar2[ind][kk]) * pp + this->phirar1[ind][kk]) * pp + - this->phirar[ind][kk]; - - return result; -}