mulliken.header

Implementation level
Type Status
CML extraction template image1
HTML5 representation image2
Template attributes
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]" />