l101.zmata

Implementation level

Type	Status
CML extraction template
HTML5 representation

Template attributes

Attribute	Value
source	Gaussian log
id	l101.zmata
pattern	\s+Charge.*Multiplicity\s\=\s\S+\s*$\s*\S,\S.*
endPattern	[^,]+
xml:base	l101/l101.zmatcommas.xml

Comment

 Charge =  0 Multiplicity = 1
 C,0,0.,0.,0.
 H,0,0.0000000995,0.0000001925,1.09326594
 H,0,1.0307409799,0.0000001096,-0.3644220738
 H,0,-0.5153703892,-0.8926480531,-0.3644217759
 H,0,-0.5153706902,0.892647751,-0.3644220902

Template definition

<record id="chargemult">\s*Charge\s*=&#123;I,x:formalCharge&#125;\s*Multiplicity\s*=&#123;I,x:multiplicity&#125;</record>
<record id="atom" repeat="*" makeArray="true">\s*&#123;I,cc:elementType&#125;,&#123;I,g:type&#125;,&#123;F,cc:x3&#125;,&#123;F,cc:y3&#125;,&#123;F,cc:z3&#125;</record>
<record id="atom" repeat="*" makeArray="true">\s*&#123;A,cc:elementType&#125;,&#123;I,g:type&#125;,&#123;F,cc:x3&#125;,&#123;F,cc:y3&#125;,&#123;F,cc:z3&#125;</record>