max/iphreeqc
1
0
Fork 0
mirror of https://git.gfz-potsdam.de/naaice/iphreeqc.git synced 2025-12-15 16:18:22 +01:00
Code Issues Packages Projects Releases Wiki Activity

Merge commit '51fbb3d5b08d20592bbc358d2f7ca25b75c74691'

Browse Source
This commit is contained in:
Scott R Charlton 2019-02-04 21:19:44 -07:00
commit 5b1de2f720
1 changed files with 22 additions and 16 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

38
phreeqcpp/transport.cpp
View File

@ -975,7 +975,7 @@ print_punch(int i, boolean active)
/* ---------------------------------------------------------------------- */
{
if ((!(cell_data[i].punch && (transport_step % punch_modulus == 0)) &&
!(cell_data[i].print && (transport_step % print_modulus == 0))) ||
!(cell_data[i].print && (transport_step % print_modulus == 0))) ||
(bcon_first == 2 && i == 0) ||
(bcon_last == 2 && i == count_cells + 1))
return;
@ -1110,6 +1110,8 @@ init_mix(void)
{
if (2.25 * maxmix + 1.0 > (double)INT_MAX)
{
m = (LDBLE *)free_check_null(m);
m1 = (LDBLE *)free_check_null(m1);
char token[MAX_LENGTH];
sprintf(token, "Calculated number of mixes %g, is beyond program limit,\nERROR: please decrease time_step, or increase cell-lengths.", 2.25 * maxmix);
error_msg(token, STOP);
@ -1229,6 +1231,8 @@ init_mix(void)
{
if (1.5 * maxmix > (double)INT_MAX)
{
m = (LDBLE *)free_check_null(m);
m1 = (LDBLE *)free_check_null(m1);
char token[MAX_LENGTH];
sprintf(token, "Calculated number of mixes %g, is beyond program limit,\nERROR: please decrease time_step, or increase cell-lengths.", 1.5 * maxmix);
error_msg(token, STOP);
@ -3090,8 +3094,8 @@ find_J(int icell, int jcell, LDBLE mixf, LDBLE DDt, int stagnant)
if (dV_dcell)
{
//if (transport_step >= 100)
// /* icell = icell */;
//if (transport_step >= 100) // debug...
// icell = icell;
current_cells[icell].ele = current_cells[icell].dif = 0;
dum = dV_dcell * F_Re3 / tk_x2;
for (i = 0; i < ct[icell].J_ij_count_spec; i++)
@ -3139,21 +3143,23 @@ dV_dcell2:
if (dV_dcell)
{
// perhaps adapt dV for getting equal current...
current_cells[icell].ele = current_cells[icell].dif = 0;
dV = cell_data[jcell].potV - cell_data[icell].potV;
dum = dV * F_Re3 / tk_x2;
for (i = 0; i < ct[icell].J_ij_count_spec; i++)
{
if (!ct[icell].v_m[i].z)
continue;
current_cells[icell].ele -= ct[icell].v_m[i].b_ij * ct[icell].v_m[i].z *
ct[icell].v_m[i].zc * dum;
current_cells[icell].dif -= ct[icell].v_m[i].b_ij * ct[icell].v_m[i].z *
ct[icell].v_m[i].grad;
}
dV *= (current_x - current_cells[icell].dif) / current_cells[icell].ele;
dum = dV * F_Re3 / tk_x2;
// perhaps adapt dV for getting equal current...
//current_cells[icell].ele = current_cells[icell].dif = 0;
//for (i = 0; i < ct[icell].J_ij_count_spec; i++)
//{
// if (!ct[icell].v_m[i].z)
// continue;
// current_cells[icell].ele -= ct[icell].v_m[i].b_ij * ct[icell].v_m[i].z *
// ct[icell].v_m[i].zc * dum;
// current_cells[icell].dif -= ct[icell].v_m[i].b_ij * ct[icell].v_m[i].z *
// ct[icell].v_m[i].grad;
//}
//dum1 = (current_x - current_cells[icell].dif) / current_cells[icell].ele;
//if (isnan(dum1))
// dum1 = 1;
//dum *= dum1;
for (i = 0; i < ct[icell].J_ij_count_spec; i++)
{
if (!ct[icell].v_m[i].z)