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

1<comment class="example.output" id="mulliken.header">
2        <module cmlx:templateRef="mulliken.header">
3            <scalar dataType="xsd:integer" dictRef="m:rootnumber">1</scalar>
4        </module>
5    </comment>

Output text

1<comment class="example.output" id="mulliken.header2">
2        <module cmlx:templateRef="mulliken.header">
3            <scalar dataType="xsd:integer" dictRef="m:rootnumber">1</scalar>
4        </module>
5    </comment>

Template definition

1<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" />
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" />
3        </template>
4    </templateList>
5<transform process="delete" xpath=".//cml:list[count(*) = 0]" />
6<transform process="delete" xpath=".//cml:module[count(*) = 0]" />