parameters

Table 523. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

None implementation


Table attributesTable. Template attributes

AttributeValue
source Turbomole control file
idparameters
nameControl parameters
pattern\s*\u0024(?i:(scfinstab|ricc2|statpt|exopt)).*
pattern2\s*\u0024(?i:(ri|rij|rir12))\s*
endPattern\s*\u0024.*
endPattern2~
repeat*
xml:baseparameters.xml


Input. 

$scfinstab rpas		
	

Input. 

$rij
	

Input. 

$rir12
  ansatz      2
  ccsdapprox  ccsd(f12)
  no_f12metric
  r12model    B
  comaprox    F+K
  cabs        svd  1.0000E-08
  examp       fixed  noflip
  corrfac     LCG
  cabsingles  on	
	

Input. 

$ricc2
  mp2
  ccsd
  ccsd(t)	
	

Output text. 

<comment class="example.output" id="parameters">
		<module cmlx:templateRef="parameters">
      		<scalar dataType="xsd:string" dictRef="t:scfinstab">rpas</scalar>
   		</module>
	</comment>

Output text. 

<comment class="example.output" id="parameters2">
		<module cmlx:templateRef="parameters">
		    <scalar dataType="xsd:string" dictRef="t:rir12">rir12</scalar>
		</module>
	</comment>

Output text. 

<comment class="example.output" id="parameters3">
		<module cmlx:templateRef="parameters">
		    <scalar dataType="xsd:string" dictRef="t:ri">rir12</scalar>
		</module>	
	</comment>

Output text. 

<comment class="example.output" id="parameters4">
		<module cmlx:templateRef="parameters">
		    <scalar dataType="xsd:string" dictRef="t:ricc2">ricc2</scalar>
		</module>	
	</comment>