grimmes

Table 587. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

Total implementation


Table attributesTable. Template attributes

AttributeValue
source VASP outcar
idgrimmes
nameParameters for Grimme's potential
pattern\s*Parameters\sfor\sGrimme\'s\spotential:.*
endPattern\s*
repeat*
xml:basegrimmes.xml


Input. 

  Parameters for Grimme's potential:
         C6(Jnm^6/mol)     R0(A)
   -----------------------------
   Cu       2.740          1.562
   C        1.750          1.452
   H        0.140          1.001
   O        0.700          1.342

	

Output text. 

<comment class="example.output" id="grimmes">
		<module cmlx:templateRef="grimmes">
			<array dataType="xsd:string" dictRef="cc:elementType" size="4">Cu C H O</array>
			<array dataType="xsd:double" dictRef="v:grimmeC6" size="4">2.740 1.750 0.140 0.700</array>
			<array dataType="xsd:double" dictRef="v:grimmeR0" size="4">1.562 1.452 1.001 1.342</array>
		</module>
	</comment>