l120

Table 211. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

Total implementation


Table attributesTable. Template attributes

AttributeValue
source Gaussian log
idl120
namel120
pattern\s*ONIOM\:\scalculating\senergy.*
endPattern\s*ONIOM\:\sextrapolated\senergy.*
endOffset1
repeat*
xml:basel120.xml


Input. 

		 ONIOM: calculating energy.
		 ONIOM: gridpoint  1 method:  low   system:  model energy:     1.049624455438
		 ONIOM: gridpoint  2 method:  high  system:  model energy: -1567.753396581480
		 ONIOM: gridpoint  3 method:  low   system:  real  energy:     1.256427003496
		 ONIOM: extrapolated energy =   -1567.546594033421	 	
	

Output text. 

<comment class="example.output" id="l120">
		<module cmlx:lineCount="5" cmlx:templateRef="l120">
			<array dataType="xsd:integer" size="3" dictRef="cc:gridpoint">1 2 3</array>
			<array dataType="xsd:string" size="3" dictRef="cc:method">low high low</array>
			<array dataType="xsd:string" size="3" dictRef="cc:system">model model real</array>
			<array dataType="xsd:double" size="3" dictRef="cc:energy">1.049624455438 -1567.75339658148 1.256427003496</array>
			<scalar dataType="xsd:double" dictRef="cc:extraenergy">-1567.546594033421</scalar>
	  </module>
	</comment>