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27 fprintf(
ioQQQ,
" Something is wrong with the order of the numbers on this line.\n" );
28 fprintf(
ioQQQ,
" The first number I encounter should be a 2.\n Sorry.\n" );
35 if(
nMatch(
"LEVE",chCard) )
47 if(
nMatch(
"LARG",chCard) )
61 fprintf(
ioQQQ,
" This would be too few electronic levels - resetting to 3.\n" );
68 " This would be too many levels, the limit is %i.\n" ,
75 else if(
nMatch(
"LIMI",chCard) )
83 if(
nMatch(
" OFF" , chCard ) )
90 fprintf(
ioQQQ,
" The limit must appear on this line.\n");
102 else if(
nMatch(
"GBAR",chCard ) )
106 if(
nMatch(
" OFF",chCard ) )
110 else if(
nMatch(
" ON ",chCard ) )
117 " The gbar approximation must be off (\" OFF\") or on (\" ON \").\n");
122 else if(
nMatch(
"COLL",chCard ) )
125 if(
nMatch(
"DISS",chCard ) )
128 if(
nMatch(
" ON ",chCard ) )
143 else if(
nMatch(
"ORTH",chCard ) &&
nMatch(
"PARA",chCard ) )
146 if(
nMatch(
" ON ",chCard ) )
160 else if(
nMatch(
"GRAI",chCard ) )
163 if(
nMatch(
" ON",chCard ) )
174 else if(
nMatch(
" HE ",chCard ) )
184 else if(
nMatch(
" OLD",chCard ) ||
nMatch(
"BOUR",chCard ) )
194 " I did not find a keyword on this ATOM H2 HE command - I know about the keys ORNL and Le BOURlot\n");
201 if(
nMatch(
" ON ",chCard ) )
215 else if(
nMatch(
"MATR",chCard ) && !
nMatch(
"TRAC",chCard ) )
220 if(
nMatch(
" ALL",chCard) )
228 else if( lgEOL && !(
nMatch(
" OFF",chCard) ||
nMatch(
"NONE",chCard) ) )
232 " The total number of levels used in the matrix solver must be entered, or keywords ALL or NONE entered.\n Sorry.\n");
239 else if(
nMatch(
" LTE",chCard ) )
245 else if(
nMatch(
"TRAC",chCard ) )
254 if(
nMatch(
"FINA",chCard ) )
259 else if(
nMatch(
"ITER",chCard ) )
264 else if(
nMatch(
"FULL",chCard ) )
269 else if(
nMatch(
"MATR",chCard ) )
280 else if(
nMatch(
"NOIS",chCard ) )
312 else if(
nMatch(
"THER",chCard ) )
316 if(
nMatch(
"SIMP",chCard ) )
320 else if(
nMatch(
"FULL",chCard ) )
327 else if(
nMatch(
"CHEM",chCard ) )
332 if(
nMatch(
"SIMP",chCard ) )
336 else if(
nMatch(
"FULL",chCard ) )
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