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Merge Tony's changes.

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git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7844 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2013-07-18 15:54:14 +00:00
parent 6b8ccd828c
commit 7da9c7b1e3
3 changed files with 19 additions and 13 deletions
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3
Phreeqc.cpp
View File

@ -2276,7 +2276,8 @@ Phreeqc::InternalCopy(const Phreeqc *pSrc)
count_theta_param = 0;
max_theta_param = 100;
use_etheta = TRUE;
OTEMP = 0.0;
OTEMP = -100.0;
OPRESS = -100.0;
A0 = 0;
spec = NULL;
cations = NULL;

19
pitzer.cpp
View File

@ -199,7 +199,7 @@ pitzer_tidy(void)
}
}
/*
* McGinnis data
* MacInnes data
*/
string1 = string_hsave("K+");
string2 = string_hsave("Cl-");
@ -742,10 +742,8 @@ C
int i;
LDBLE TR = 298.15;
if (fabs(TK - OTEMP) < 0.001e0 && fabs(patm_x - OPRESS) < 0.001)
if (fabs(TK - OTEMP) < 0.001e0 && fabs(patm_x - OPRESS) < 0.1)
return OK;
OTEMP = TK;
OPRESS = patm_x;
/*
C Set DW0
*/
@ -758,8 +756,11 @@ C Set DW0
{
calc_pitz_param(pitz_params[i], TK, TR);
}
DC0 = DC(TK);
if (fabs(TK - TR) < 0.001e0)
//DC0 = DC(TK);
calc_dielectrics(TK - 273.15, patm_x);
DC0 = eps_r;
// Only at 1.0 atm??? if (fabs(TK - TR) < 0.001 && fabs(patm_x - OPRESS) < 0.1)
if (fabs(TK - TR) < 0.001 && fabs(patm_x - 1.0) < 0.1)
{
A0 = 0.392e0;
//Cite Jonathan Toner
@ -768,10 +769,14 @@ C Set DW0
}
else
{
DC0 = DC(TK);
//DC0 = DC(TK);
calc_dielectrics(TK - 273.15, patm_x);
DC0 = eps_r;
A0 = 1.400684e6 * sqrt(DW0 / (pow((DC0 * TK), (LDBLE) 3.0e0)));
/*A0=1.400684D6*(DW0/(DC0*TK)**3.0D0)**0.5D0 */
}
OTEMP = TK;
OPRESS = patm_x;
return OK;
}

10
sit.cpp
View File

@ -1335,10 +1335,7 @@ C
int i;
LDBLE TR = 298.15;
if (fabs(TK - OTEMP) < 0.001e0 && fabs(patm_x - OPRESS) < 0.001)
return OK;
OTEMP = TK;
OPRESS = patm_x;
if (fabs(TK - OTEMP) < 0.001 && fabs(patm_x - OPRESS) < 0.1) return OK;
/*
C Set DW0
*/
@ -1348,7 +1345,8 @@ C Set DW0
calc_sit_param(sit_params[i], TK, TR);
}
DC0 = DC(TK);
if (fabs(TK - TR) < 0.001e0)
// Only at 1.0 atm??? if (fabs(TK - TR) < 0.001 && fabs(patm_x - OPRESS) < 0.1)
if (fabs(TK - TR) < 0.001 && fabs(patm_x - 1.0) < 0.1)
{
sit_A0 = 0.392e0;
}
@ -1358,5 +1356,7 @@ C Set DW0
sit_A0 = 1.400684e6 * sqrt(DW0 / (pow((DC0 * TK), (LDBLE) 3.0e0)));
/*sit_A0=1.400684D6*(DW0/(DC0*TK)**3.0D0)**0.5D0 */
}
OTEMP = TK;
OPRESS = patm_x;
return OK;
}