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Squashed 'phreeqcpp/' changes from e1de8e8..97a0327
97a0327 fixed compiler warnings except NAN ee1acc4 changed all double precision to real(kind=8) in all files. Compiles and runs test cases. git-subtree-dir: phreeqcpp git-subtree-split: 97a0327aa6a4017dcd2e0298f44d5e672b05288a
This commit is contained in:
Darth Vader
parent
cb707ac2b7
commit
0a7874068e
2
cl1.cpp
2
cl1.cpp
@ -142,7 +142,7 @@ cl1(int k, int l, int m, int n,
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/* AT LEAST NKLMD COLUMNS USED FOR WORKSPACE. */
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/* S INTEGER ARRAY OF SIZE AT LEAST KLMD, USED FOR */
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/* WORKSPACE. */
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/* DOUBLE PRECISION DBLE */
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/* real(kind=8) DBLE */
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/* REAL */
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/* INITIALIZATION. */
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@ -624,7 +624,6 @@ int Phreeqc::
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calc_fixed_volume_gas_pressures(void)
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/* ---------------------------------------------------------------------- */
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{
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int n_g = 0;
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LDBLE lp;
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class rxn_token *rxn_ptr;
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class phase *phase_ptr;
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@ -645,7 +644,6 @@ calc_fixed_volume_gas_pressures(void)
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{
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if (!PR && phase_ptr->t_c > 0 && phase_ptr->p_c > 0)
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PR = true;
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n_g++;
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}
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gas_phase_ptr->Set_total_moles(gas_phase_ptr->Get_total_moles() + gas_unknowns[i]->moles);
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}
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@ -2543,7 +2543,6 @@ int Phreeqc::
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calc_gas_pressures(void)
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/* ---------------------------------------------------------------------- */
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{
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int n_g = 0;
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LDBLE lp, V_m = 0;
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class rxn_token *rxn_ptr;
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std::vector<class phase *> phase_ptrs;
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@ -2576,7 +2575,6 @@ calc_gas_pressures(void)
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phase_ptrs.push_back(phase_ptr);
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if (!PR && phase_ptr->t_c > 0 && phase_ptr->p_c > 0)
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PR = true;
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n_g++;
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}
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if (iterations > 2 && gas_phase_ptr->Get_type() == cxxGasPhase::GP_VOLUME)
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{
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@ -3778,7 +3776,6 @@ residuals(void)
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int converge;
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LDBLE l_toler;
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LDBLE sum_residual;
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LDBLE sinh_constant;
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LDBLE sum, sum1;
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class master *master_ptr, *master_ptr1, *master_ptr2;
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@ -3786,7 +3783,6 @@ residuals(void)
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int print_fail;
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std::vector<LDBLE> cd_psi;
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print_fail = FALSE;
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sum_residual = 0.0;
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sigmaddl = 0;
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sum = 0;
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/*
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@ -4530,7 +4526,6 @@ residuals(void)
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* Store residuals in array
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*/
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my_array[((size_t)i + 1) * (count_unknowns + 1) - 1] = residual[i];
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sum_residual += fabs(residual[i]);
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}
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/*
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* Return
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20
pitzer.cpp
20
pitzer.cpp
@ -52,7 +52,7 @@ pitzer_tidy(void)
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const char *string1, *string2;
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int i, j, order;
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int i0, i1, i2;
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int count_pos, count_neg, count_neut, count[3], jj;
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int count_neut, count[3], jj;
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LDBLE z0, z1;
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class pitz_param *pzp_ptr;
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class theta_param *theta_param_ptr;
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@ -339,21 +339,21 @@ pitzer_tidy(void)
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i0 = pitz_params[i]->ispec[0];
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i1 = pitz_params[i]->ispec[1];
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i2 = pitz_params[i]->ispec[2];
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count_pos = count_neg = count_neut = 0;
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count_neut = 0;
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for (j = 0; j <= 2; j++)
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{
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if (spec[pitz_params[i]->ispec[j]]->z > 0)
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{
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count_pos++;
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}
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//if (spec[pitz_params[i]->ispec[j]]->z > 0)
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//{
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// count_pos++;
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//}
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if (spec[pitz_params[i]->ispec[j]]->z == 0)
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{
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count_neut++;
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}
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if (spec[pitz_params[i]->ispec[j]]->z < 0)
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{
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count_neg++;
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}
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//if (spec[pitz_params[i]->ispec[j]]->z < 0)
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//{
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// count_neg++;
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//}
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}
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/* All neutral */
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if (count_neut == 3)
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7
prep.cpp
7
prep.cpp
@ -1980,14 +1980,13 @@ get_list_master_ptrs(const char* cptr, class master *master_ptr)
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* Output: space is allocated and a list of master species pointers is
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* returned.
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*/
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int j, l, count_list;
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int j, l;
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char token[MAX_LENGTH];
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std::vector<class master*> master_ptr_list;
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class master *master_ptr0;
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/*
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* Make list of master species pointers
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*/
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count_list = 0;
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//master_ptr_list = unknown_alloc_master();
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master_ptr0 = master_ptr;
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if (master_ptr0 == master_ptr->s->primary)
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@ -2147,7 +2146,7 @@ mb_for_species_aq(int n)
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* by coef, usually moles.
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* mb_unknowns.coef - coefficient of s[n] in equation or relation
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*/
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int i, j;
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int i;
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class master *master_ptr;
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class unknown *unknown_ptr;
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@ -2223,7 +2222,6 @@ mb_for_species_aq(int n)
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*/
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if (use.Get_surface_ptr() != NULL && s[n]->type < H2O && dl_type_x != cxxSurface::NO_DL)
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{
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j = 0;
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for (i = 0; i < count_unknowns; i++)
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{
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if (x[i]->type == SURFACE_CB)
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@ -2235,7 +2233,6 @@ mb_for_species_aq(int n)
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store_mb_unknowns(unknown_ptr, s_diff_layer[n][charge_ptr->Get_name()].Get_g_moles_address(),
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s[n]->z, s_diff_layer[n][charge_ptr->Get_name()].Get_dg_g_moles_address());
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j++;
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}
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}
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}
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@ -1141,7 +1141,7 @@ copy_token_tab(std::string& token, const char **cptr)
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* EOL,
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* UNKNOWN.
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*/
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int i, return_value;
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int return_value;
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char c;
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/*
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* Strip leading spaces
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@ -1180,7 +1180,6 @@ copy_token_tab(std::string& token, const char **cptr)
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/*
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* Begin copying to token
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*/
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i = 0;
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for (;;)
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{
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c = **cptr;
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@ -1197,7 +1196,6 @@ copy_token_tab(std::string& token, const char **cptr)
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{
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token.push_back(c);
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(*cptr)++;
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i++;
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}
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}
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return (return_value);
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@ -13,10 +13,10 @@
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* listed here work with the type realtype as defined in *
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* sundialstypes.h. *
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* To do single precision floating point arithmetic, set the type *
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* realtype to be float. To do double precision arithmetic, set *
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* realtype to be float. To do real(kind=8) arithmetic, set *
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* the type realtype to be double. The default implementations *
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* for RPowerR and RSqrt call standard math library functions *
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* which do double precision arithmetic. If this is unacceptable *
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* which do real(kind=8) arithmetic. If this is unacceptable *
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* when realtype is float, then the user should re-implement *
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* these two routines by calling single precision routines *
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* available on his/her machine. *
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@ -25,7 +25,7 @@
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* The types for realtype and integertype below have been set to *
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* double and long int, respectively. A user should modify these *
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* type declarations as he/she sees fit. For example, if a user *
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* wants the work with type float because double precision *
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* wants the work with type float because real(kind=8) *
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* floating point arithmetic is too expensive on the user's *
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* machine, then the definition below should be changed to: *
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* *
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@ -798,7 +798,6 @@ build_tally_table(void)
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*/
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int j, k, l, p, save_print_use;
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size_t n;
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int count_tt_pure_phase, count_tt_ss_phase, count_tt_kinetics;
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class phase *phase_ptr;
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char token[MAX_LENGTH];
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const char* cptr;
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@ -871,7 +870,6 @@ build_tally_table(void)
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/*
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* Count pure phases
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*/
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count_tt_pure_phase = 0;
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if (Rxn_pp_assemblage_map.size() > 0)
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{
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/*
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@ -904,7 +902,6 @@ build_tally_table(void)
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/*
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* Add to table
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*/
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count_tt_pure_phase++;
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n = count_tally_table_columns;
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extend_tally_table();
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tally_table[n].name = phase_ptr->name;
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@ -931,7 +928,6 @@ build_tally_table(void)
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/*
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* Add solid-solution pure phases
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*/
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count_tt_ss_phase = 0;
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if (Rxn_ss_assemblage_map.size() > 0)
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{
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/*
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@ -964,7 +960,6 @@ build_tally_table(void)
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/*
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* Add to table
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*/
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count_tt_ss_phase++;
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n = count_tally_table_columns;
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extend_tally_table();
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tally_table[n].name = phase_ptr->name;
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@ -982,7 +977,6 @@ build_tally_table(void)
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/*
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* Add kinetic reactants
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*/
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count_tt_kinetics = 0;
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if (Rxn_kinetics_map.size() > 0)
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{
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std::map<int, cxxKinetics>::iterator it;
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@ -1006,7 +1000,6 @@ build_tally_table(void)
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/*
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* Add to table
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*/
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count_tt_kinetics++;
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n = count_tally_table_columns;
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extend_tally_table();
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tally_table[n].name = string_hsave(kinetics_comp_ptr->Get_rate_name().c_str());
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