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Add comments to Gaussian.parse
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crcollins committed Jul 29, 2013
1 parent af86081 commit 6ab5423
Showing 1 changed file with 8 additions and 3 deletions.
11 changes: 8 additions & 3 deletions @Gaussian/parse.m
Original file line number Diff line number Diff line change
Expand Up @@ -259,14 +259,16 @@ function parse(obj)
obj.multiplicity = str2double(text{loc+2});



% All log parsing is in a try block because the log file might not exist
try
log_file = [obj.dataPath, obj.filename, '.log'];
fid1 = fopen(log_file,'r');

t1 = textscan(fid1,'%s');
fclose(fid1);
text = t1{1};

phrase = {'#'};
loc = utils.findText(text, phrase, issueErrors);
words = {};
Expand All @@ -276,7 +278,9 @@ function parse(obj)
words{i} = text{loc+i};
end
obj.keywords = words;


% The overlap matrix is in a second try block because it requires an
% IOP code to get it to show up in the log file. ( iop(3/33=4) )
try
phrase = {'***','Overlap','***'};
loc = utils.findText(text, phrase, issueErrors);
Expand Down Expand Up @@ -308,7 +312,8 @@ function parse(obj)
end
end
end


% excited states will only appear in the log if the calculation was TD
try
% EXCITED STATES
phrase = {'Excited', 'State'};
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