diff --git a/src/BOCS/compute_pressure_bocs.cpp b/src/BOCS/compute_pressure_bocs.cpp index c52f3a7db2..b66fea190e 100644 --- a/src/BOCS/compute_pressure_bocs.cpp +++ b/src/BOCS/compute_pressure_bocs.cpp @@ -203,25 +203,20 @@ double ComputePressureBocs::get_cg_p_corr(int N_basis, double *phi_coeff, Find the relevant index position if using a spline basis set ------------------------------------------------------------------------- */ -double ComputePressureBocs::find_index(double * grid, double value) +int ComputePressureBocs::find_index(double * grid, double value) { int i; double spacing = fabs(grid[1]-grid[0]); int gridsize = spline_length; for (i = 0; i < (gridsize-1); ++i) { - if (value >= grid[i] && value <= grid[i+1]) { return i; } + if (value >= grid[i] && value <= grid[i+1]) return i; } - if (value >= grid[i] && value <= (grid[i] + spacing)) { return i; } + if (value >= grid[i] && value <= (grid[i] + spacing)) return i; error->all(FLERR, Error::NOLASTLINE, - "find_index could not find value in grid for value: {}", value); - for (int i = 0; i < gridsize; ++i) { - fprintf(stderr, "grid %d: %f\n", i, grid[i]); - } - - exit(1); + "find_index could not find index in grid for value: {}", value); } /* ---------------------------------------------------------------------- diff --git a/src/BOCS/compute_pressure_bocs.h b/src/BOCS/compute_pressure_bocs.h index 00a2394c5a..dbe2385627 100644 --- a/src/BOCS/compute_pressure_bocs.h +++ b/src/BOCS/compute_pressure_bocs.h @@ -50,7 +50,7 @@ class ComputePressureBocs : public Compute { void send_cg_info(int, int, double *, int, double); void send_cg_info(int, double **, int); double get_cg_p_corr(double **, int, double); - double find_index(double *, double); + int find_index(double *, double); protected: double boltz, nktv2p, inv_volume;