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Fixed the LJ diameter read statement to be arbitrary precision instead

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of just precision 2.
Note, this change does cause the GRI30 mechanism to produce different
results.
This commit is contained in:
Harry Moffat 2008-11-13 23:23:40 +00:00
parent 66a9b679e1
commit 3ae04059f3
1 changed files with 13 additions and 1 deletions
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14
Cantera/src/converters/ck2ct.cpp
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@ -198,7 +198,18 @@ namespace pip {
case 1: fprintf(f," geom = \"linear\",\n"); break;
case 2: fprintf(f," geom = \"nonlinear\",\n"); break;
}
fprintf(f," diam = %8.2f,\n",td.diam);
#define FULL_TRANSPORT_PARAMETER_PRECISION
#ifdef FULL_TRANSPORT_PARAMETER_PRECISION
fprintf(f," diam = %g,\n",td.diam);
fprintf(f," well_depth = %g",td.welldepth);
if (td.polar != 0.0)
fprintf(f,",\n polar = %g",td.polar);
if (td.dipole != 0.0)
fprintf(f,",\n dipole = %g",td.dipole);
if (td.rot != 0.0)
fprintf(f,",\n rot_relax = %g",td.rot);
#else
fprintf(f," diam = %8.2f,\n",td.diam);
fprintf(f," well_depth = %8.2f",td.welldepth);
if (td.polar != 0.0)
fprintf(f,",\n polar = %8.2f",td.polar);
@ -206,6 +217,7 @@ namespace pip {
fprintf(f,",\n dipole = %8.2f",td.dipole);
if (td.rot != 0.0)
fprintf(f,",\n rot_relax = %8.2f",td.rot);
#endif
fprintf(f,")");
}