From a71aaa66b0b8046ec97d8a494cb5982eee24a843 Mon Sep 17 00:00:00 2001 From: David Parkhurst Date: Tue, 8 Oct 2024 21:01:57 -0600 Subject: [PATCH] Changed Lamda to Lambda, but retained backward compatibility --- database/pitzer.dat | 2 +- doc/RELEASE.TXT | 20 ++++++++++++++++++++ mytest/pitzer-04.dat | 2 +- src/global_structures.h | 4 ++-- src/pitzer.cpp | 24 ++++++++++++------------ 5 files changed, 36 insertions(+), 16 deletions(-) diff --git a/database/pitzer.dat b/database/pitzer.dat index ba90d9e96..508bd1c3e 100644 --- a/database/pitzer.dat +++ b/database/pitzer.dat @@ -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 diff --git a/doc/RELEASE.TXT b/doc/RELEASE.TXT index 626f9c6e3..90c99ad93 100644 --- a/doc/RELEASE.TXT +++ b/doc/RELEASE.TXT @@ -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 ----------------- diff --git a/mytest/pitzer-04.dat b/mytest/pitzer-04.dat index 305a91c62..6f3ac6d3d 100644 --- a/mytest/pitzer-04.dat +++ b/mytest/pitzer-04.dat @@ -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 diff --git a/src/global_structures.h b/src/global_structures.h index 2fa43bd4e..69a7748f3 100644 --- a/src/global_structures.h +++ b/src/global_structures.h @@ -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; @@ -1613,7 +1613,7 @@ class pitz_param LDBLE b2; LDBLE c0; LDBLE theta; - LDBLE lamda; + LDBLE lambda; LDBLE zeta; LDBLE psi; LDBLE alphas; diff --git a/src/pitzer.cpp b/src/pitzer.cpp index a0c10b4e0..9282b5767 100644 --- a/src/pitzer.cpp +++ b/src/pitzer.cpp @@ -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: @@ -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]; @@ -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]); @@ -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; @@ -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; @@ -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; @@ -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; @@ -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 */