l301.pcm.nonstandard

Gaussian log

Table 233. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

None implementation


Table attributesTable. Template attributes

AttributeValue
source Gaussian log
idl301.pcm.nonstandard
pattern\sUsing\sthe\sfollowing\snon\-standard\sinput\sfor\sPCM:.*
endPattern\s*\-\-\-\send\sof\snon\-standard\sinput\..*
namePolarizable continuum model - nonstandard
endOffset1
repeat*
xml:basel301/l301.pcm.nonstandard.xml


Input. 

 Using the following non-standard input for PCM:
 EPS=37.8
 RSOLV=2.642
 SPHEREONH=25
 SPHEREONH=26
 SPHEREONH=27
 SPHEREONH=28
 SPHEREONH=29
 SPHEREONH=30
 SPHEREONH=31
 SPHEREONH=32
 SPHEREONH=33
 SPHEREONH=34
 SPHEREONH=35
 SPHEREONH=36
 SPHEREONH=37
 SPHEREONH=38
 SPHEREONH=39
 SPHEREONH=40
 SPHEREONH=41
 SPHEREONH=42
 SPHEREONH=43
 SPHEREONH=44
 SPHEREONH=45
 --- end of non-standard input.

Output text. 

<comment class="example.output" id="l301.pcm.nonstandard1">		
		<module cmlx:lineCount="25" cmlx:templateRef="l301.pcm.nonstandard">
   			<scalar dataType="xsd:double" dictRef="cc:eps">37.8</scalar>
   			<scalar dataType="xsd:double" dictRef="cc:rsolv" units="nonsi:angstrom">2.642</scalar>
   			<array dataType="xsd:integer" size="21" dictRef="cc:sphereonh">25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45</array>
  		</module>		
	</comment>