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Parse symmetry labels in TDDFT QA tests

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Daniel Mejia-Rodriguez 2023-07-12 14:53:46 -07:00 • committed by edoapra
parent 3429a5436c
commit 3a1780cd8e
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1 changed files with 4 additions and 4 deletions
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8
QA/nwparse.pl
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@ -245,11 +245,11 @@ foreach $filename (@FILES_TO_PARSE) {
print "debug:number : $num_line_tokens \n";
}
if (! $quiet) {
printf "%s %d %s", @line_tokens[0], @line_tokens[1], @line_tokens[2];
printf "%s %d %s %s", @line_tokens[0], @line_tokens[1], @line_tokens[2], @line_tokens[3];
printf "% 0.3f %s", set_to_digits(@line_tokens[4],3), @line_tokens[5];
printf "% 0.2f %s\n", set_to_digits(@line_tokens[6],2), @line_tokens[7];
}
printf FILE_OUTPUT "%s %d %s", @line_tokens[0], @line_tokens[1], @line_tokens[2];
printf FILE_OUTPUT "%s %d %s %s", @line_tokens[0], @line_tokens[1], @line_tokens[2], @line_tokens[3];
printf FILE_OUTPUT " %0.3f %s", set_to_digits(@line_tokens[4],3), @line_tokens[5];
printf FILE_OUTPUT " %0.2f %s\n", set_to_digits(@line_tokens[6],2), @line_tokens[7];
}
@ -262,11 +262,11 @@ foreach $filename (@FILES_TO_PARSE) {
print "debug:number : $num_line_tokens \n";
}
if (! $quiet) {
printf "%s %d", @line_tokens[0], @line_tokens[1];
printf "%s %d %s", @line_tokens[0], @line_tokens[1], @line_tokens[2];
printf "% 0.3f %s", set_to_digits(@line_tokens[3],3), @line_tokens[4];
printf "% 0.2f %s\n", set_to_digits(@line_tokens[5],2), @line_tokens[6];
}
printf FILE_OUTPUT "%s %d", @line_tokens[0], @line_tokens[1];
printf FILE_OUTPUT "%s %d %s", @line_tokens[0], @line_tokens[1], @line_tokens[2];
printf FILE_OUTPUT " %0.3f %s", set_to_digits(@line_tokens[3],3), @line_tokens[4];
printf FILE_OUTPUT " %0.2f %s\n", set_to_digits(@line_tokens[5],2), @line_tokens[6];
}