Lines Matching refs:GREP

82    GREP="egrep -a"
84    GREP="egrep"
87 if $GREP -q "not implemented for parallel calculations" $log; then
93 CRIT1=`$GREP "H * 2 * 1\.0000 * 7 * 5 * \[4s1p\|2s1p\]" $log | wc -l`
94 CRIT2=`$GREP "total\: * 2 * 2\.0000 * 14 * 10" $log | wc -l`
100 CRIT1=`$GREP "Total number of coordinates\: * 6" $log | wc -l`
101 CRIT2=`$GREP "H * \/ * 1 \: * 1 * x * (0| )\.0000000000 * 2 * y * (0| )\.0000000000 * 3 * z * 1\.50…
102 CRIT3=`$GREP "H * \/ * 2 \: * 4 * x * (0| )\.0000000000 * 5 * y * (0| )\.0000000000 * 6 * z * \-1\.…
109 CRIT1=`$GREP "Number of coordinates in each symmetry\: * 1 * 1 * 1 * 0 * 1 * 1 * 1 * 0" $log | wc -…
110 CRIT2=`$GREP "Number of orbitals in each symmetry\: * 3 * 1 * 1 * 0 * 3 * 1 * 1 * 0" $log | wc -l`
116 CRIT1=`$GREP "Final MCSCF energy\: * \-1\.04697084862[0-9]" $log | wc -l`
122 CRIT1=`$GREP "The molecular gradient" $log | wc -l`
123 CRIT2=`$GREP "The molecular Hessian" $log | wc -l`
124 CRIT3=`$GREP "Electronic excitation energies" $log | wc -l`
125 CRIT4=`$GREP "First order nonadiabatic coupling elements" $log | wc -l`
132 CRIT1=`$GREP "Vibrational g\-factor\: * H * z\[ * 3 * \- * 6\]\/2 * 1\.337[12]" $log | wc -l`
135 CRIT2=`$GREP "Vibrational g\-factor\: * H * x\[ * 1 * \+ * 4\]\/2 * (0| )\.413557" $log | wc -l`
136 CRIT3=`$GREP "Vibrational g\-factor\: * H * y\[ * 2 * \+ * 5\]\/2 * (0| )\.413557" $log | wc -l`
137 CRIT4=`$GREP "Vibrational g\-factor\: * H * z\[ * 3 * \+ * 6\]\/2 * 1\.438462" $log | wc -l`
138 CRIT5=`$GREP "Vibrational g\-factor\: * H * x\[ * 1 * \- * 4\]\/2 * (0| )\.302475" $log | wc -l`
139 CRIT6=`$GREP "Vibrational g\-factor\: * H * y\[ * 2 * \- * 5\]\/2 * (0| )\.302475" $log | wc -l`