l804_l906

Table 329. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

None implementation


Table attributesTable. Template attributes

AttributeValue
source Gaussian log
idl804_l906
namel804_l906
pattern\sSpin\scomponents\sof\sT\(2\)\sand\sE\(2\).*
endPattern\s*E2\s*\=\s+.*EUMP2\s*\=.*
endOffset1
repeat*
xml:basel804_l906.xml


Input. 

		 Spin components of T(2) and E(2):
		 alpha-alpha T2 =       0.5715273911D-02 E2=     -0.1593530293D-01
		 alpha-beta  T2 =       0.4459296127D-01 E2=     -0.1351390998D+00
		 beta-beta   T2 =       0.5715273911D-02 E2=     -0.1593530293D-01
		 ANorm=    0.1027630045D+01
		 E2 =    -0.1670097057D+00 EUMP2 =    -0.40365588064343D+02
	

Input. 

	 	Spin components of T(2) and E(2):
     		alpha-alpha T2 =       0.0000000000D+00 E2=      0.0000000000D+00
     		alpha-beta  T2 =       0.4915594995D-02 E2=     -0.1428945585D-01
     		beta-beta   T2 =       0.0000000000D+00 E2=      0.0000000000D+00
 		The integrals were generated   1 times.
 		ANorm=    0.1002454785D+01
 		E2 =    -0.1428945585D-01 EUMP2 =    -0.11199239664352D+01 		
	

Output text. 

<comment class="example.output" id="l804_l906">
	    <module cmlx:lineCount="6" cmlx:templateRef="l804_l906">
		   <list cmlx:lineCount="3" cmlx:templateRef="spincomponents">
		    <array dataType="xsd:double" dictRef="cc:T2" size="3">0.005715273911 0.04459296127 0.005715273911</array>
		    <array dataType="xsd:double" dictRef="cc:E2" size="3">-0.01593530293 -0.1351390998 -0.01593530293</array>
		   </list>
		   <scalar dataType="xsd:double" dictRef="cc:anorm">1.027630045</scalar>
		   <scalar dataType="xsd:double" dictRef="cc:e2">-0.1670097057</scalar>
		   <scalar dataType="xsd:double" dictRef="cc:eump2">-40.365588064343</scalar>
		</module>		 
	</comment>

Output text. 

<comment class="example.output" id="l804_l906a">
		<module cmlx:lineCount="7" cmlx:templateRef="l804_l906">	    
		   <list cmlx:lineCount="3" cmlx:templateRef="spincomponents">
		    <array dataType="xsd:double" dictRef="cc:T2" size="3">0.0 0.004915594995 0.0</array>
		    <array dataType="xsd:double" dictRef="cc:E2" size="3">0.0 -0.01428945585 0.0</array>
		   </list>
		   <scalar dataType="xsd:double" dictRef="cc:anorm">1.002454785</scalar>
		   <scalar dataType="xsd:double" dictRef="cc:e2">-0.01428945585</scalar>
		   <scalar dataType="xsd:double" dictRef="cc:eump2">-1.1199239664352</scalar>
		</module>
	</comment>