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Searched refs:GREP (Results 1 – 25 of 10650) sorted by relevance

12345678910>>...426

/dports/science/octopus/octopus-10.5/testsuite/symmetries/
H A D03-orthorombic.test11 match ; S1 ; GREP(static/info, " 1 0 0 0 1 0 0 0 1", 60 ); 0.000000
12 match ; S2 ; GREP(static/info, " -1 0 0 0 1 0 0 0 -1", 60 ); 0.000000
13 match ; S3 ; GREP(static/info, " -1 0 0 0 -1 0 0 0 1", 60 ); 0.000000
14 match ; S4 ; GREP(static/info, " 1 0 0 0 -1 0 0 0 -1", 60 ); 0.000000
17 match ; kpt 1 ; GREP(static/info, " 0.0000 0.0000 0.0000", 51 ); 0.01563
18 match ; kpt 2 ; GREP(static/info, " 0.2500 0.0000 0.0000", 51 ); 0.03125
19 match ; kpt 3 ; GREP(static/info, " 0.5000 0.0000 0.0000", 51 ); 0.01563
20 match ; kpt 4 ; GREP(static/info, " 0.0000 0.2500 0.0000", 51 ); 0.03125
21 match ; kpt 5 ; GREP(static/info, " 0.2500 0.2500 0.0000", 51 ); 0.06250
22 match ; kpt 6 ; GREP(static/info, " 0.5000 0.2500 0.0000", 51 ); 0.03125
[all …]
H A D02-monoclinic.test11 match ; S1 ; GREP(static/info, " 1 0 0 0 1 0 0 0 1", 60 ); 0.000000
12 match ; S2 ; GREP(static/info, " -1 0 0 0 1 0 0 0 -1", 60 ); 0.000000
15 match ; kpt 1 ; GREP(static/info, " 0.0000 0.0000 0.0000", 51 ); 0.01563
16 match ; kpt 2 ; GREP(static/info, " 0.2500 0.0000 0.0000", 51 ); 0.03125
17 match ; kpt 3 ; GREP(static/info, " 0.5000 0.0000 0.0000", 51 ); 0.01563
18 match ; kpt 4 ; GREP(static/info, " 0.0000 0.2500 0.0000", 51 ); 0.03125
19 match ; kpt 5 ; GREP(static/info, " 0.2500 0.2500 0.0000", 51 ); 0.06250
20 match ; kpt 6 ; GREP(static/info, " 0.5000 0.2500 0.0000", 51 ); 0.03125
21 match ; kpt 7 ; GREP(static/info, " 0.0000 0.5000 0.0000", 51 ); 0.01563
22 match ; kpt 8 ; GREP(static/info, " 0.2500 0.5000 0.0000", 51 ); 0.03125
[all …]
H A D04-tetragonal.test11 match ; S1 ; GREP(static/info, " 1 0 0 0 1 0 0 0 1", 60 ); 0.000000
12 match ; S2 ; GREP(static/info, " -1 0 0 0 -1 0 0 0 1", 60 ); 0.000000
13 match ; S3 ; GREP(static/info, " 0 1 0 -1 0 0 0 0 1", 60 ); 0.000000
14 match ; S4 ; GREP(static/info, " 0 -1 0 1 0 0 0 0 1", 60 ); 0.000000
17 match ; kpt 1 ; GREP(static/info, " 0.0000 0.0000 0.0000", 51 ); 0.01563
18 match ; kpt 2 ; GREP(static/info, " 0.2500 0.0000 0.0000", 51 ); 0.06250
19 match ; kpt 3 ; GREP(static/info, " 0.5000 0.0000 0.0000", 51 ); 0.03125
20 match ; kpt 4 ; GREP(static/info, " 0.2500 0.2500 0.0000", 51 ); 0.06250
21 match ; kpt 5 ; GREP(static/info, " 0.5000 0.2500 0.0000", 51 ); 0.06250
22 match ; kpt 6 ; GREP(static/info, " 0.5000 0.5000 0.0000", 51 ); 0.01563
[all …]
H A D06-cubic.test11 match ; S1 ; GREP(static/info, " 1 0 0 0 1 0 0 0 1", 60 ); 0.000000
12 match ; S2 ; GREP(static/info, " -1 0 0 0 -1 0 0 0 1", 60 ); 0.000000
13 match ; S3 ; GREP(static/info, " 1 0 0 0 -1 0 0 0 -1", 60 ); 0.000000
14 match ; S4 ; GREP(static/info, " 0 -1 0 0 0 -1 1 0 0", 60 ); 0.000000
15 match ; S5 ; GREP(static/info, " 0 1 0 0 0 -1 -1 0 0", 60 ); 0.000000
16 match ; S6 ; GREP(static/info, " 0 0 -1 1 0 0 0 -1 0", 60 ); 0.000000
17 match ; S7 ; GREP(static/info, " 0 1 0 0 0 1 1 0 0", 60 ); 0.000000
18 match ; S8 ; GREP(static/info, " -1 0 0 0 1 0 0 0 -1", 60 ); 0.000000
25 match ; kpt 1 ; GREP(static/info, " 0.0000 0.0000 0.0000", 51 ); 0.01563
26 match ; kpt 2 ; GREP(static/info, " 0.2500 0.0000 0.0000", 51 ); 0.09375
[all …]
H A D05-hexagonal.test11 match ; S1 ; GREP(static/info, " 1 0 0 0 1 0 0 0 1", 60 ); 0.000000
12 match ; S2 ; GREP(static/info, " 0 1 0 -1 -1 0 0 0 1", 60 ); 0.000000
13 match ; S3 ; GREP(static/info, " -1 -1 0 1 0 0 0 0 1", 60 ); 0.000000
16 match ; kpt 1 ; GREP(static/info, " 0.0000 0.0000 0.0000", 51 ); 0.01563
17 match ; kpt 2 ; GREP(static/info, " 0.2500 0.0000 0.0000", 51 ); 0.09375
18 match ; kpt 3 ; GREP(static/info, " 0.5000 0.0000 0.0000", 51 ); 0.04688
19 match ; kpt 4 ; GREP(static/info, " 0.2500 0.2500 0.0000", 51 ); 0.09375
20 match ; kpt 5 ; GREP(static/info, " 0.0000 0.0000 0.2500", 51 ); 0.03125
21 match ; kpt 6 ; GREP(static/info, " 0.2500 0.0000 0.2500", 51 ); 0.09375
22 match ; kpt 7 ; GREP(static/info, " 0.5000 0.0000 0.2500", 51 ); 0.09375
[all …]
H A D01-triclinic.test11 match ; S1 ; GREP(static/info, " 1 0 0 0 1 0 0 0 1", 60 ); 0.000000
14 match ; kpt 1 ; GREP(static/info, " 0.0000 0.0000 0.0000", 51 ); 0.01563
15 match ; kpt 2 ; GREP(static/info, " 0.2500 0.0000 0.0000", 51 ); 0.03125
16 match ; kpt 3 ; GREP(static/info, " 0.5000 0.0000 0.0000", 51 ); 0.01563
17 match ; kpt 4 ; GREP(static/info, " 0.0000 0.2500 0.0000", 51 ); 0.03125
18 match ; kpt 5 ; GREP(static/info, " 0.2500 0.2500 0.0000", 51 ); 0.03125
19 match ; kpt 6 ; GREP(static/info, " 0.5000 0.2500 0.0000", 51 ); 0.03125
20 match ; kpt 7 ; GREP(static/info, " -0.2500 0.2500 0.0000", 51 ); 0.03125
21 match ; kpt 8 ; GREP(static/info, " 0.0000 0.5000 0.0000", 51 ); 0.01563
22 match ; kpt 9 ; GREP(static/info, " 0.2500 0.5000 0.0000", 51 ); 0.03125
[all …]
/dports/math/spot/spot-2.10.2/tests/sanity/
H A Dstyle.test38 GREP=grep
42 GREP="$GREP --color=auto -n"
146 $GREP '[ ]$' $tmp &&
197 $GREP 'class .*{' $tmp | $GREP -v enum &&
200 $GREP '( ' $tmp &&
203 $GREP ' )' $tmp &&
206 $GREP '! ' $tmp &&
245 $GREP -v 'for (.*;;)' $tmp | $GREP ';[^ ")'"']" &&
286 e$GREP 'bdd_(false|true)[ ]*\(' $tmp | $GREP -v '[?:]' &&
298 $GREP 'catch *([^.]' $tmp | $GREP -v 'const.*\&' &&
[all …]
/dports/math/py-spot/spot-2.10.2/tests/sanity/
H A Dstyle.test38 GREP=grep
42 GREP="$GREP --color=auto -n"
146 $GREP '[ ]$' $tmp &&
197 $GREP 'class .*{' $tmp | $GREP -v enum &&
200 $GREP '( ' $tmp &&
203 $GREP ' )' $tmp &&
206 $GREP '! ' $tmp &&
245 $GREP -v 'for (.*;;)' $tmp | $GREP ';[^ ")'"']" &&
286 e$GREP 'bdd_(false|true)[ ]*\(' $tmp | $GREP -v '[?:]' &&
298 $GREP 'catch *([^.]' $tmp | $GREP -v 'const.*\&' &&
[all …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/test/
H A Dwalk_gradex81 GREP="egrep -a -l"
83 GREP="egrep -l"
101 CRIT1=`$GREP "Cartesian basis used" $log | wc -l`
110 CRIT4=`$GREP "3 * z * (0| )\.5147128871" $log | wc -l`
111 CRIT5=`$GREP "4 * x * 1\.4837091636" $log | wc -l`
112 CRIT6=`$GREP "5 * y * (0| )\.0000000802" $log | wc -l`
114 CRIT8=`$GREP "7 * x * \-1\.1558499044" $log | wc -l`
115 CRIT9=`$GREP "8 * y * 1\.5260201343" $log | wc -l`
117 CRIT11=`$GREP "10 * x * \-1\.1558492311" $log | wc -l`
260 CRIT1=`$GREP "Vibrational analysis" $log | wc -l`
[all …]
H A Dwalk_image76 GREP="egrep -a"
78 GREP="egrep"
96 CRIT1=`$GREP "Cartesian basis used" $log | wc -l`
103 CRIT2=`$GREP "1 * x * (0| )\.0000000000" $log | wc -l`
106 CRIT5=`$GREP "4 * x * 1\.7000000000" $log | wc -l`
109 CRIT8=`$GREP "7 * x * \-1\.3841000000" $log | wc -l`
130 CRIT3=`$GREP "Initial image mode\: 1" $log | wc -l`
145 CRIT1=`$GREP "N * x * 2\.14484[0-9]" $log | wc -l`
192 CRIT1=`$GREP "N * x * 1\.31366" $log | wc -l`
248 CRIT1=`$GREP "Vibrational analysis" $log | wc -l`
[all …]
H A Dwalk_modeflw80 GREP="egrep -a"
82 GREP="egrep"
100 CRIT1=`$GREP "Cartesian basis used" $log | wc -l`
110 CRIT5=`$GREP "4 * x * 1\.4837091636" $log | wc -l`
114 CRIT9=`$GREP "8 * y * 1\.5260201343" $log | wc -l`
149 CRIT1=`$GREP "N * x * (0| )\.74534." $log | wc -l`
198 CRIT1=`$GREP "N * x * 0*\.7894.." $log | wc -l`
210 CRIT13=`$GREP "H * x * 0*\.1767.." $log | wc -l`
261 CRIT1=`$GREP "Vibrational analysis" $log | wc -l`
286 CRIT1=`$GREP "N * (\-0|\-)\.71634." $log | wc -l`
[all …]
H A Drsp_soppapolarnosymm83 GREP="egrep -a"
85 GREP="egrep"
104 CRIT2=`$GREP "1 * x * (0| )\.0000000000" $log | wc -l`
105 CRIT3=`$GREP "2 * y * (\-0|\-)\.2249058930" $log | wc -l`
106 CRIT4=`$GREP "3 * z * (0| )\.0000000000" $log | wc -l`
107 CRIT5=`$GREP "4 * x * 1\.4523500000" $log | wc -l`
108 CRIT6=`$GREP "5 * y * (0| )\.8996230000" $log | wc -l`
109 CRIT7=`$GREP "6 * z * (0| )\.0000000000" $log | wc -l`
110 CRIT8=`$GREP "7 * x * \-1\.4523500000" $log | wc -l`
111 CRIT9=`$GREP "8 * y * (0| )\.8996230000" $log | wc -l`
[all …]
H A Drsp_excipolar292 GREP="egrep -a"
94 GREP="egrep"
105 CRIT3=`$GREP "total\: * 2 * 4\.0000 * 21 * 11" $log | wc -l`
112 CRIT2=`$GREP "1 * x * (0| )\.0000000000" $log | wc -l`
113 CRIT3=`$GREP "2 * y * (0| )\.0000000000" $log | wc -l`
114 CRIT4=`$GREP "3 * z * 2\.0969699107" $log | wc -l`
115 CRIT5=`$GREP "4 * x * (0| )\.0000000000" $log | wc -l`
116 CRIT6=`$GREP "5 * y * (0| )\.0000000000" $log | wc -l`
117 CRIT7=`$GREP "6 * z * (\-0|\-)\.9969699107" $log | wc -l`
154 CRIT6=`$GREP "Nx A\[2\] Nyz * 15\..* 14\.8" $log | wc -l`
[all …]
H A Dgeoopt_symbrk72 GREP="egrep -a -l"
74 GREP="egrep -l"
98 CRIT3=`$GREP "2 * y * 1\.37950007" $log | wc -l`
104 CRIT9=`$GREP "8 * y * 1\.37950007" $log | wc -l`
105 CRIT10=`$GREP "9 * z * 1\.7952398" $log | wc -l`
129 CRIT1=`$GREP "O * y * 0*\.07240" $log | wc -l`
130 CRIT2=`$GREP "H * y * \-0*\.05451" $log | wc -l`
131 CRIT3=`$GREP "H * z * 0*\.00310" $log | wc -l`
137 CRIT1=`$GREP "O * y * 1\.1338" $log | wc -l`
141 CRIT5=`$GREP "O * x * (0| )\.0005" $log | wc -l`
[all …]
H A Dwalk_polar86 GREP="egrep -i -a"
88 GREP="egrep -i"
102 CRIT4=`$GREP "4 * x * 1\.4523500000" $log | wc -l`
159 CRIT2=`$GREP "H * x * 0*\.04951" $log | wc -l`
160 CRIT3=`$GREP "H * y * 0*\.04102" $log | wc -l`
200 CRIT1=`$GREP "O * y * 0*\.0042" $log | wc -l`
236 CRIT3=`$GREP "H * y * (0| )\.44820" $log | wc -l`
238 CRIT5=`$GREP "H * x * (0| )\.59855" $log | wc -l`
279 CRIT1=`$GREP "O * 15\.994915" $log | wc -l`
280 CRIT2=`$GREP "H * _1 * 1\.007825" $log | wc -l`
[all …]
H A DhfreqfromE78 GREP="egrep -a"
80 GREP="egrep"
93 CRIT1=`$GREP "1\. irep\:" $log | wc -l`
94 CRIT2=`$GREP "1\.00 * 1\.00 * 1\.00 * 1\.00" $log | wc -l`
95 CRIT3=`$GREP "2\. irep\:" $log | wc -l`
96 CRIT4=`$GREP "1\.00 \-1\.00 * 1\.00 \-1\.00" $log | wc -l`
97 CRIT5=`$GREP "3\. irep\:" $log | wc -l`
98 CRIT6=`$GREP "1\.00 * 1\.00 \-1\.00 \-1\.00" $log | wc -l`
99 CRIT7=`$GREP "4\. irep\:" $log | wc -l`
100 CRIT8=`$GREP "1\.00 \-1\.00 \-1\.00 * 1\.00" $log | wc -l`
[all …]
H A Dgeoopt_prop76 GREP="egrep -a"
78 GREP="egrep"
82 CRIT1=`$GREP "1 * x * (0| )\.0000000000" $log | wc -l`
83 CRIT2=`$GREP "2 * y * (0| )\.0000000000" $log | wc -l`
86 CRIT5=`$GREP "5 * y * 1\.4523500000" $log | wc -l`
89 CRIT8=`$GREP "8 * y * \-1\.4523500000" $log | wc -l`
99 CRIT2=`$GREP "BFGS update" $log | wc -l`
116 CRIT2=`$GREP "\-2069\.4654847[0-9] eV" $log | wc -l`
132 CRIT1=`$GREP "O * z * \-0*\.04102" $log | wc -l`
133 CRIT2=`$GREP "H * y * 0*\.04951" $log | wc -l`
[all …]
H A Dvibave_spinspin91 GREP="egrep -a"
93 GREP="egrep"
104 CRIT1=`$GREP "1\. irep\:" $log | wc -l`
105 CRIT2=`$GREP "1\.00 * 1\.00 * 1\.00 * 1\.00" $log | wc -l`
106 CRIT3=`$GREP "2\. irep\:" $log | wc -l`
107 CRIT4=`$GREP "1\.00 \-1\.00 * 1\.00 \-1\.00" $log | wc -l`
108 CRIT5=`$GREP "3\. irep\:" $log | wc -l`
110 CRIT7=`$GREP "4\. irep\:" $log | wc -l`
118 CRIT1=`$GREP "O * 17\.999159" $log | wc -l`
119 CRIT2=`$GREP "H *_1 * 1\.007825" $log | wc -l`
[all …]
H A Dwalk_polar2113 GREP="egrep -a"
115 GREP="egrep"
125 CRIT2=`$GREP "4 * x * 1\.2634502500" $log | wc -l`
126 CRIT3=`$GREP "5 * y * 2\.0449019100" $log | wc -l`
127 CRIT4=`$GREP "7 * x * 1\.2634502500" $log | wc -l`
128 CRIT5=`$GREP "8 * y * \-2\.0449019100" $log | wc -l`
173 CRIT2=`$GREP "\-6109\.4598163[0-9] eV" $log | wc -l`
180 CRIT1=`$GREP "OS * x * (0| )\.0099" $log | wc -l`
181 CRIT2=`$GREP "OP * x * (\-0|\-)\.0099" $log | wc -l`
188 CRIT1=`$GREP "OS * x * (0| )\.4296" $log | wc -l`
[all …]
H A Dcc_fop_prop491 GREP="egrep -a"
93 GREP="egrep"
96 if $GREP -q "not implemented for parallel calculations" $log; then
102 CRIT1=`$GREP "Final * HF energy:" $log | $GREP "\-112.75469112" | wc -l`
103 CRIT2=`$GREP "Total SCF energy: * \-112.75469112" $log | wc -l`
104 CRIT3=`$GREP "Total MP2 energy: * \-113.05873920" $log | wc -l`
105 CRIT4=`$GREP "Total CCSD energy: * \-113.06527698" $log | wc -l`
118 CRIT7=`$GREP "Alfa\*\*2 Invariant: [ ]* 178.035342" $log | wc -l`
119 CRIT8=`$GREP "Beta\*\*2 Invariant: [ ]* 294.791525" $log | wc -l`
146 CRIT7=`$GREP "Alfa\*\*2 Invariant: [ ]* 181.836552" $log | wc -l`
[all …]
H A Drsp_soppa1excisymm75 GREP="egrep -a"
77 GREP="egrep"
96 CRIT2=`$GREP "1 * x * (0| )\.0000000000" $log | wc -l`
97 CRIT3=`$GREP "2 * y * (\-0|\-)\.2249058930" $log | wc -l`
98 CRIT4=`$GREP "3 * z * (0| )\.0000000000" $log | wc -l`
99 CRIT5=`$GREP "4 * x * 1\.4523500000" $log | wc -l`
100 CRIT6=`$GREP "5 * y * (0| )\.8996230000" $log | wc -l`
101 CRIT7=`$GREP "6 * z * (0| )\.0000000000" $log | wc -l`
102 CRIT8=`$GREP "7 * x * \-1\.4523500000" $log | wc -l`
103 CRIT9=`$GREP "8 * y * (0| )\.8996230000" $log | wc -l`
[all …]
H A Drsp_soppaccexci76 GREP="egrep -a"
78 GREP="egrep"
97 CRIT2=`$GREP "1 * x * (0| )\.0000000000" $log | wc -l`
98 CRIT3=`$GREP "2 * y * (\-0|\-)\.2249058930" $log | wc -l`
99 CRIT4=`$GREP "3 * z * (0| )\.0000000000" $log | wc -l`
100 CRIT5=`$GREP "4 * x * 1\.4523500000" $log | wc -l`
101 CRIT6=`$GREP "5 * y * (0| )\.8996230000" $log | wc -l`
102 CRIT7=`$GREP "6 * z * (0| )\.0000000000" $log | wc -l`
103 CRIT8=`$GREP "7 * x * \-1\.4523500000" $log | wc -l`
104 CRIT9=`$GREP "8 * y * (0| )\.8996230000" $log | wc -l`
[all …]
H A Dgeoopt_prop279 GREP="egrep -a"
81 GREP="egrep"
85 CRIT1=`$GREP "1 * x * (0| )\.0000000000" $log | wc -l`
86 CRIT2=`$GREP "2 * y * (0| )\.0000000000" $log | wc -l`
89 CRIT5=`$GREP "5 * y * 1\.4523500000" $log | wc -l`
92 CRIT8=`$GREP "8 * y * \-1\.4523500000" $log | wc -l`
102 CRIT2=`$GREP "Newton method" $log | wc -l`
118 CRIT2=`$GREP "\-2069\.4654847[0-9] eV" $log | wc -l`
134 CRIT1=`$GREP "O * z * \-0*\.04102" $log | wc -l`
135 CRIT2=`$GREP "H * y * 0*\.04951" $log | wc -l`
[all …]
H A Deffgeom_fromE78 GREP="egrep -a"
80 GREP="egrep"
93 CRIT1=`$GREP "1\. irep\:" $log | wc -l`
95 CRIT3=`$GREP "2\. irep\:" $log | wc -l`
97 CRIT5=`$GREP "3\. irep\:" $log | wc -l`
102 CRIT10=`$GREP "4\. irep\:" $log | wc -l`
107 CRIT15=`$GREP "5\. irep\:" $log | wc -l`
112 CRIT20=`$GREP "6\. irep\:" $log | wc -l`
117 CRIT25=`$GREP "5 * 5 * 3 * 3 * 1\.00" $log | wc -l`
142 CRIT7=`$GREP "(0| )\.7998986" $log | wc -l`
[all …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/test/cc2mm_lr_qr/
H A Dcc2mm_lr_qr.check5 GREP="egrep -a"
7 GREP="egrep"
10 if $GREP -q "not implemented for parallel calculations" $log; then
16 CRIT1=`$GREP "Eelec \= Sum_n,s\[ \(Q_n\*Q_s\)\/\|R_n \- R_s\| \] \| * (\-|\-0)\.03404007" $l…
17 CRIT2=`$GREP "Epol \= \- 1\/2\*Sum_a\[ Pind_a\*E\^site_a \] \| * (\-|\-0)\.00944547" $log…
18 CRIT3=`$GREP "Evdw \= Sum_a\[ A_ma\/\|R_ma\|\^12 \- B_ma\/\|R_ma\|\^6 \] \| * ( |0)\.00000000" $lo…
19 CRIT4=`$GREP "E\(MM\/MM\) \= Eelec \+ Epol \+ Evdw \| * (\-|\-0)\.0434855[34]" $lo…
22 CRIT7=`$GREP "E\(\"QM\"\/MM\) \= Eelec \+ Epol \+ Evdw \| * (\-|\-0)\.01376842" $log…
31 CRIT1=` $GREP "x * ( |0)\.3984969. * 1\.0128781." $log | wc -l`
32 CRIT2=` $GREP "y * (\-|\-0)\.4390160. * \-1\.1158673." $log | wc -l`
[all …]

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