toolkit

void print_help(global_variable gv)

function to print help and give command line parameters

bulk_info retrieve_bulk_PT(global_variable gv, io_data *input_data, int sgleP, bulk_info z_b)

retrieve bulk rock composition and PT compositions

void convert_system_comp(global_variable gv, char *sys_in, bulk_info z_b, double *bulk_rock)

retrieve bulk rock composition and PT compositions This function is not used in the C version of MAGEMin, but can be called via the Julia wrapper MAGEMin_C to normalize the composition

double AFunction(int mode, double v, double *data)

test function for Brent method

int RootBracketed(double x1, double x2)

TRUE if x1*x2 negative

double Minimum(double a, double b)

returns the minimum of two real numbers

double Maximum(double a, double b)

returns the maimum of two real numbers

double BrentRoots(double x1, double x2, double *data, double Tolerance, int mode, int maxIterations, double *valueAtRoot, int *niter, int *error)

main Brent root finding routine

double norm_vector(double *array, int n)

function to calculate norm of a vector

double euclidean_distance(double *array1, double *array2, int n)

function to calculate the Euclidean distance between two normalized vectors - used to decypher which phase to add during phase update

void inverseMatrix(int *ipiv, double *A1, int n, double *work, int lwork)

inverse a matrix using LAPACKE dgetrf and dgetri

double VecVecMul(double *B0, double *B1, int n)

vector vectorT multiplication

void VecMatMul(double *B1, double *A1, double *B, int n)

vector matrix multiplication

void MatVecMul(double *A1, double *br, double *n_vec, int n)

matrix vector multiplication

int get_active_em(double *array, int n)

get active endmember

int EndsWithTail(char *name, char *tail)

compare last character of a string with a reference character - function to find out the Liquid endmembers, and remove them from considerations after levelling

double sum_array(double *array, int size)

function to calculate the sum of an array

int check_sign(double v1, double v2)

function to compare the sign of two variables

double sign(double x)

function to compare the sign of two variables

void print_cp(global_variable gv, csd_phase_set *cp)

function to print out considered phases structure

void print_SS_informations(global_variable gv, SS_ref SS_ref_db, int iss)

rotate G-hyperplane using Gamma

SS_ref rotate_hyperplane(global_variable gv, SS_ref SS_ref_db)

rotate G-hyperplane using Gamma

SS_ref non_rot_hyperplane(global_variable gv, SS_ref SS_ref_db)

non rotated G-hyperplane

SS_ref raw_hyperplane(global_variable gv, SS_ref SS_ref_db, double *gb)

raw G-hyperplane using Gamma

SS_ref restrict_SS_HyperVolume(global_variable gv, SS_ref SS_ref_db, double box_size)

restrict solution phase hyper volume for local minimization

SS_ref check_SS_bounds(global_variable gv, SS_ref SS_ref_db)

check bounds

int getActiveSPhaseN(global_variable gv, PP_ref *PP_ref_db, SS_ref *SS_ref_db)

retrieve the number of solution phase that are active

int getActivePhaseN(global_variable gv, PP_ref *PP_ref_db, SS_ref *SS_ref_db)

retrieve the number of phases that are active

global_variable get_pp_id(global_variable gv)

get id of active pure phases

global_variable get_ss_id(global_variable gv, csd_phase_set *cp)

get id of active solution phases

global_variable wave_melt_correction(global_variable gv, bulk_info z_b, double aspectRatio)

Melt-fraction correction for P-wave and S-wave velocities The routine uses the reduction formulation of Clark et al., (2017) and is based on the equilibrium geometry model for the solid skeleton of Takei et al., 1997. * aspectRatio: Coefficient defining the geometry of the solid framework (contiguity): 0.0 (layered melt distributed) < 0.1 (grain boundary melt) < 1.0 (melt in separated bubble pockets)

printf(” Vp_Sol (harm) : %+12.5ft [km/s]n”,gv.solid_Vp); printf(” Vs_Sol (harm) : %+12.5ft [km/s]n”,gv.solid_Vs); gv.solid_Vs = anelastic_correction( 0,

gv.solid_Vs, z_b.P, z_b.T );

printf(” Vs_Sol (anel) : %+12.5ft [km/s]n”,gv.solid_Vs); if (gv.melt_fraction > 0.0){

wave_melt_correction( gv.melt_bulkModulus,

gv.solid_bulkModulus, gv.solid_shearModulus, gv.melt_density, gv.solid_density, gv.solid_Vp, gv.solid_Vs, gv.melt_fraction, 0.1, gv.V_cor );

printf(”n Vp_Melt_cor : %+12.5ft [km/s]n”, gv.V_cor[0]); printf(” Vs_Melt_cor : %+12.5ft [km/s]n”, gv.V_cor[1]); printf(” Vp/Vs_Melt_cor : %+12.5ft [km/s]n”,gv.V_cor[0]/gv.V_cor[1]);

} printf(”n”);

global_variable compute_phase_mol_fraction(global_variable gv, PP_ref *PP_ref_db, SS_ref *SS_ref_db, csd_phase_set *cp)

This routine convert the molar fraction on 1 atom basis to mol fraction