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Mix error #80

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merged 2 commits into from
Oct 10, 2024
Merged

Mix error #80

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a71aaa6
Changed Lamda to Lambda, but retained backward compatibility
dlparkhurst Oct 9, 2024
0eb9a84
Merge branch 'master' into mix_error
dlparkhurst Oct 10, 2024
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2 changes: 1 addition & 1 deletion database/pitzer.dat
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Original file line number Diff line number Diff line change
Expand Up @@ -692,7 +692,7 @@ PITZER
Mg+2 Na+ 0.07
Na+ Sr+2 0.051
OH- SO4-2 -0.013
-LAMDA
-LAMBDA
B(OH)3 Cl- 0.091
B(OH)3 K+ -0.14
B(OH)3 Na+ -0.097
Expand Down
20 changes: 20 additions & 0 deletions doc/RELEASE.TXT
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@@ -1,5 +1,25 @@
Version @PHREEQC_VER@: @PHREEQC_DATE@

-----------------
October 8, 2024
-----------------
PHREEQC: Improved algorithem for transport of heat in TRANSPORT, and included
additional viscosity effects in transport calculations.

-----------------
October 8, 2024
-----------------
PHREEQC: Corrected spelling errors thoughout PHREEQC as supplied by Mike Toews.
Modified "lamda" to "lambda" internally as suggested by Toews, but "lamda" and
"lambda" are both acceptable in Ptzer database files for backward compatibility.

-----------------
October 8, 2024
-----------------
PHREEQC: Fixed bug in MIX that produced erroneous temperature and pressure
if the solutions being mixed did not have 1 kg of water.

Version 3.8.2: August 29, 2024
-----------------
August 27, 2024
-----------------
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2 changes: 1 addition & 1 deletion mytest/pitzer-04.dat
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Expand Up @@ -612,7 +612,7 @@ PITZER
CO3-2 HCO3- -0.04
B3O3(OH)4- HCO3- -0.10
B4O5(OH)4-2 HCO3- -0.087
-LAMDA
-LAMBDA
Na+ CO2 0.1
K+ CO2 0.051
Mg+2 CO2 0.183
Expand Down
4 changes: 2 additions & 2 deletions src/global_structures.h
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Expand Up @@ -1581,7 +1581,7 @@ class M_S
};
// Pitzer definitions
typedef enum
{ TYPE_B0, TYPE_B1, TYPE_B2, TYPE_C0, TYPE_THETA, TYPE_LAMDA, TYPE_ZETA,
{ TYPE_B0, TYPE_B1, TYPE_B2, TYPE_C0, TYPE_THETA, TYPE_LAMBDA, TYPE_ZETA,
TYPE_PSI, TYPE_ETHETA, TYPE_ALPHAS, TYPE_MU, TYPE_ETA, TYPE_Other,
TYPE_SIT_EPSILON, TYPE_SIT_EPSILON_MU, TYPE_APHI
} pitz_param_type;
Expand Down Expand Up @@ -1613,7 +1613,7 @@ class pitz_param
LDBLE b2;
LDBLE c0;
LDBLE theta;
LDBLE lamda;
LDBLE lambda;
LDBLE zeta;
LDBLE psi;
LDBLE alphas;
Expand Down
24 changes: 12 additions & 12 deletions src/pitzer.cpp
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Expand Up @@ -199,7 +199,7 @@ pitzer_tidy(void)
break;
case TYPE_B2:
case TYPE_THETA:
case TYPE_LAMDA:
case TYPE_LAMBDA:
case TYPE_ZETA:
case TYPE_PSI:
case TYPE_ETHETA:
Expand Down Expand Up @@ -464,14 +464,14 @@ pitzer_tidy(void)
}
*/
/*
* Tidy TYPE_LAMDA
* Tidy TYPE_LAMBDA
*/

/* Coef for Osmotic coefficient for TYPE_LAMDA */
/* Coef for Osmotic coefficient for TYPE_LAMBDA */

for (i = 0; i < (int)pitz_params.size(); i++)
{
if (pitz_params[i]->type == TYPE_LAMDA)
if (pitz_params[i]->type == TYPE_LAMBDA)
{
i0 = pitz_params[i]->ispec[0];
i1 = pitz_params[i]->ispec[1];
Expand All @@ -492,11 +492,11 @@ pitzer_tidy(void)
}
}
}
/* Debug TYPE_LAMDA coefficients */
/* Debug TYPE_LAMBDA coefficients */
/*
for (i = 0; i < (int)pitz_params.size(); i++)
{
if (pitz_params[i]->type == TYPE_LAMDA)
if (pitz_params[i]->type == TYPE_LAMBDA)
{
fprintf(stderr, "%s\t%s\n", pitz_params[i]->species[0], pitz_params[i]->species[1]);
fprintf(stderr, "%f\t%f\n", pitz_params[i]->ln_coef[0], pitz_params[i]->ln_coef[1]);
Expand Down Expand Up @@ -672,7 +672,7 @@ read_pitzer(void)
break;
case 5: /* lamda */
case 18: /* lambda */
pzp_type = TYPE_LAMDA;
pzp_type = TYPE_LAMBDA;
n = 2;
opt_save = OPTION_DEFAULT;
break;
Expand Down Expand Up @@ -820,8 +820,8 @@ calc_pitz_param(class pitz_param *pz_ptr, LDBLE TK, LDBLE TR)
case TYPE_THETA:
pz_ptr->U.theta = param;
break;
case TYPE_LAMDA:
pz_ptr->U.lamda = param;
case TYPE_LAMBDA:
pz_ptr->U.lambda = param;
break;
case TYPE_ZETA:
pz_ptr->U.zeta = param;
Expand Down Expand Up @@ -1062,7 +1062,7 @@ pitzer(void)
LGAMMA[i2] += M[i0] * M[i1] * param;
OSMOT += M[i0] * M[i1] * M[i2] * param;
break;
case TYPE_LAMDA:
case TYPE_LAMBDA:
LGAMMA[i0] += M[i1] * param * pitz_params[i]->ln_coef[0];
LGAMMA[i1] += M[i0] * param * pitz_params[i]->ln_coef[1];
OSMOT += M[i0] * M[i1] * param * pitz_params[i]->os_coef;
Expand Down Expand Up @@ -1380,7 +1380,7 @@ pitzer(void)
LGAMMA[i2] += M[i0] * M[i1] * param;
OSMOT += M[i0] * M[i1] * M[i2] * param;
break;
case TYPE_LAMDA:
case TYPE_LAMBDA:
LGAMMA[i0] += M[i1] * param * pitz_params[i]->ln_coef[0];
LGAMMA[i1] += M[i0] * param * pitz_params[i]->ln_coef[1];
OSMOT += M[i0] * M[i1] * param * pitz_params[i]->os_coef;
Expand Down Expand Up @@ -2688,7 +2688,7 @@ pitzer_make_lists(void)
for (int i = 0; i < (int)pitz_params.size(); i++)
{
/*
TYPE_B0, TYPE_B1, TYPE_B2, TYPE_C0, TYPE_THETA, TYPE_LAMDA, TYPE_ZETA,
TYPE_B0, TYPE_B1, TYPE_B2, TYPE_C0, TYPE_THETA, TYPE_LAMBDA, TYPE_ZETA,
TYPE_PSI, TYPE_ETHETA, TYPE_ALPHAS, TYPE_MU, TYPE_ETA, TYPE_Other,
TYPE_SIT_EPSILON, TYPE_SIT_EPSILON_MU
*/
Expand Down