mulliken.header¶
Type | Status |
---|---|
CML extraction template | |
HTML5 representation |
Attribute | Value |
---|---|
source | MOLCAS log |
id | mulliken.header |
name | Mulliken (spin) population Analysis header |
pattern | \s*Mulliken\s(spin\s)?population\sAnalysis.* |
endPattern | .* |
repeat | * |
xml:base | modules/mulliken/mulliken.header.xml |
Input
Mulliken spin population Analysis for root number: 1
Input
Mulliken population Analysis for root number: 1
Output text
<comment class="example.output" id="mulliken.header">
<module cmlx:templateRef="mulliken.header">
<scalar dataType="xsd:integer" dictRef="m:rootnumber">1</scalar>
</module>
</comment>
Output text
<comment class="example.output" id="mulliken.header2">
<module cmlx:templateRef="mulliken.header">
<scalar dataType="xsd:integer" dictRef="m:rootnumber">1</scalar>
</module>
</comment>
Template definition
<templateList> <template id="mullikenroot" pattern="\s*Mulliken\spopulation\sAnalysis\sfor\sroot\snumber.*" endPattern="~"> <record>\s*Mulliken\spopulation\sAnalysis\sfor\sroot\snumber:{I,m:rootnumber}</record> <transform process="pullup" xpath=".//cml:scalar" repeat="2" />
</template> <template id="mullikenroot" pattern="\s*Mulliken\sspin\spopulation\sAnalysis\sfor\sroot\snumber.*" endPattern="~"> <record>\s*Mulliken\s{A,m:mullikentype}\spopulation\sAnalysis\sfor\sroot\snumber:{I,m:rootnumber}</record> <transform process="pullup" xpath=".//cml:scalar" repeat="2" />
</template>
</templateList>
<transform process="delete" xpath=".//cml:list[count(*) = 0]" />
<transform process="delete" xpath=".//cml:module[count(*) = 0]" />