Lines Matching refs:GREP
77 GREP="egrep -i -a"
79 GREP="egrep -i"
83 CRIT1=`$GREP "\[9s4p1d\|3s2p1d\]" $log | wc -l`
89 CRIT1=`$GREP "1 * x * 0*\.0000000000" $log | wc -l`
90 CRIT2=`$GREP "2 * y * 0*\.0000000000" $log | wc -l`
91 CRIT3=`$GREP "3 * z * \-*0*\.125851" $log | wc -l`
92 CRIT4=`$GREP "4 * x * 0*\.0000000000" $log | wc -l`
93 CRIT5=`$GREP "5 * y * 1\.4523500000" $log | wc -l`
94 CRIT6=`$GREP "6 * z * 0*\.998677" $log | wc -l`
95 CRIT7=`$GREP "7 * x * 0*\.0000000000" $log | wc -l`
96 CRIT8=`$GREP "8 * y * \-1\.4523500000" $log | wc -l`
97 CRIT9=`$GREP "9 * z * 0*\.998677" $log | wc -l`
98 CRIT10=`$GREP "Total number of coordinates: * 9" $log | wc -l`
105 CRIT1=`$GREP "Nuclear repulsion energy : * 9.0550045256" $log | wc -l`
111 CRIT1=`$GREP "Number of closed shell electrons * 10" $log | wc -l`
112 CRIT2=`$GREP "Number of electrons in active shells * 0" $log | wc -l`
113 CRIT4=`$GREP "Total number of orbitals * 24" $log | wc -l`
114 CRIT5=`$GREP "Spin multiplicity .* 1" $log | wc -l`
115 CRIT6=`$GREP "Total number of symmetries * 4" $log | wc -l`
116 CRIT7=`$GREP "Reference state symmetry * 1" $log | wc -l`
124 CRIT1=`$GREP "Final HF-SRDFT energy: * \-76\.346541" $log | wc -l`