Cloudy & Associates

Commit f9b77a1a authored by Chatzikos, Marios's avatar Chatzikos, Marios
Browse files

Add comments to t_ADfA::set_vshell_index

parent daaf201d
......@@ -268,10 +268,23 @@ t_ADfA::t_ADfA()
inline long t_ADfA::set_vshell_index( long nelec, long Z ) const
{
long nout = NTOT[nelec-1];
if( Z == nelec && Z > 18 )
// NB NB
// 4th row elements start filling 4s (shell 7) before completely
// filling 3d (shell 6) -- true for all neutrals, and some singly
// ionized elements, see below
//
// The indices below are on C scale, i.e., they start at 0 for H,
// hence the +1
//
if( Z == nelec && Z > ipARGON+1 )
nout = 7;
if( Z == (nelec + 1)
&& (Z == 20 || Z == 21 || Z == 22 || Z == 25 || Z == 26) )
else if( Z == (nelec + 1)
&& ( Z == ipCALCIUM+1
|| Z == ipSCANDIUM+1
|| Z == ipTITANIUM+1
|| Z == ipMANGANESE+1
|| Z == ipIRON+1 ) )
nout = 7;
return nout;
}
......
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