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MEAM/C: Remove unused function

This commit is contained in:
Sebastian Hütter 2018-03-19 13:33:58 +01:00
parent a25e36abea
commit 545e40f107
2 changed files with 0 additions and 23 deletions
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1
src/USER-MEAMC/meam.h
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@ -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,

22
src/USER-MEAMC/meam_setup_done.cpp
View File

@ -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;
}