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Trying Pitzer lists again.

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git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9802 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2015-06-09 13:46:17 +00:00
parent c319dc836e
commit 6de09799c9
3 changed files with 18 additions and 4 deletions
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19
pitzer.cpp
View File

@ -2,7 +2,7 @@
#include "phqalloc.h"
#include "Exchange.h"
#include "Solution.h"
#define PITZER_LISTS
#define PITZER
/* ---------------------------------------------------------------------- */
@ -762,19 +762,27 @@ C
C SUBROUTINE TO CALUCLATE TEMPERATURE DEPENDENCE OF PITZER PARAMETER
C
*/
int i;
LDBLE TR = 298.15;
if (fabs(TK - OTEMP) < 0.001 && fabs(patm_x - OPRESS) < 0.1)
return OK;
DW0 = rho_0 = calc_rho_0(TK - 273.15, patm_x);
VP = patm_x;
#if !defined(PITZER_LISTS)
int i;
for (i = 0; i < count_pitz_param; i++)
//for (size_t j = 0; j < param_list.size(); j++)
{
//int i = param_list[j];
calc_pitz_param(pitz_params[i], TK, TR);
}
#else
for (size_t j = 0; j < param_list.size(); j++)
{
int i = param_list[j];
calc_pitz_param(pitz_params[i], TK, TR);
}
#endif
calc_dielectrics(TK - 273.15, patm_x);
OTEMP = TK;
OPRESS = patm_x;
@ -847,6 +855,7 @@ calc_pitz_param(struct pitz_param *pz_ptr, LDBLE TK, LDBLE TR)
}
return OK;
}
#if !defined(PITZER_LISTS)
/* ---------------------------------------------------------------------- */
int Phreeqc::
pitzer(void)
@ -1181,7 +1190,7 @@ pitzer(void)
*/
return (OK);
}
#ifdef SKIP
#else
/* ---------------------------------------------------------------------- */
int Phreeqc::
pitzer(void)
@ -2380,6 +2389,9 @@ model_pz(void)
{
full_pitzer = FALSE;
}
#if defined(PITZER_LISTS)
pitzer_make_lists();
#endif
for (;;)
{
mb_gases();
@ -2732,6 +2744,7 @@ pitzer_make_lists(void)
anion_list.clear();
ion_list.clear();
param_list.clear();
OTEMP = -100.0;
for (int i = 0; i < 3 * count_s; i++)
{
IPRSNT[i] = FALSE;

2
prep.cpp
View File

@ -124,7 +124,7 @@ prep(void)
error_msg("Program stopping due to input errors.", STOP);
}
if (sit_model) sit_make_lists();
//if (pitzer_model) pitzer_make_lists();
if (pitzer_model) pitzer_make_lists();
return (OK);
}

1
sit.cpp
View File

@ -1643,6 +1643,7 @@ sit_make_lists(void)
anion_list.clear();
ion_list.clear();
param_list.clear();
OTEMP = -100.0;
for (int i = 0; i < 3 * count_s; i++)
{
sit_IPRSNT[i] = FALSE;