l716.secondderiv ​
Implementation level ​
Type | Status |
---|---|
CML extraction template | |
HTML5 representation |
Template attributes ​
Attribute | Value |
---|---|
source | Gaussian log |
id | l716.secondderiv |
pattern | \s*The second derivative matrix:\s* |
repeat | * |
endPattern | \s*Eigenvalues.*$.....[^E][^i][^g].* |
endOffset | 1 |
xml:base | l716/l716.secondderiv.xml |
Input ​
The second derivative matrix:
R1 R2 R3 R4 A1
R1 0.32284
R2 0.00000 0.32284
R3 0.00000 0.00000 0.32284
R4 0.00000 0.00000 0.00000 0.32284
A1 0.00000 0.00000 0.00000 0.00000 0.16000
A2 0.00000 0.00000 0.00000 0.00000 0.00000
A3 0.00000 0.00000 0.00000 0.00000 0.00000
A4 0.00000 0.00000 0.00000 0.00000 0.00000
A5 0.00000 0.00000 0.00000 0.00000 0.00000
A6 0.00000 0.00000 0.00000 0.00000 0.00000
A2 A3 A4 A5 A6
A2 0.16000
A3 0.00000 0.16000
A4 0.00000 0.00000 0.16000
A5 0.00000 0.00000 0.00000 0.16000
A6 0.00000 0.00000 0.00000 0.00000 0.16000
Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000
Eigenvalues --- 0.32284 0.32284 0.32284 0.322841000.00000
Output text ​
xml
<comment class="example.output" id="l716.secondderiv">
<module cmlx:templateRef="l716.secondderiv">
<array delimiter="|" dataType="xsd:string" size="10" dictRef="cc:coordid">|R1|R2|R3|R4|A1|A2|A3|A4|A5|A6|</array>
<array dataType="xsd:double" size="55" dictRef="cc:secondderiv" type="lowerTriangle">0.32284 0.0 0.32284 0.0 0.0 0.32284 0.0 0.0 0.0 0.32284 0.0 0.0 0.0 0.0 0.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.16 0.0 0.16 0.0 0.0 0.16 0.0 0.0 0.0 0.16 0.0 0.0 0.0 0.0 0.16</array>
<array dataType="xsd:double" size="10" dictRef="cc:eigenval">0.16 0.16 0.16 0.16 0.16 0.32284 0.32284 0.32284 0.32284 1000.0</array>
</module>
</comment>
Template definition ​
xml
<record repeat="*">\s*The second derivative matrix.*</record>
<templateList> <template pattern="\s{20}\s*\S+\s*.*" endPattern="(\s*Eig.*)|(\s{20}).*" repeat="*"> <record id="serial">{1_5A,cc:coordid}\s*</record> <record id="row" repeat="*">{A,x:x}{1_5F,cc:secondderiv}\s*</record>
</template> <template repeat="*" pattern="\s*Eigenvalues.*" endPattern=".*"> <record repeat="*" id="eigen">\s*Eigenvalues \-\-\-\s{1_5F10.5,cc:eigenval}\s*</record>
</template>
</templateList>
<transform process="joinArrays" xpath=".//cml:array[@dictRef='cc:coordid']" />
<transform process="joinArrays" xpath=".//cml:array[@dictRef='cc:secondderiv']" />
<transform process="addAttribute" xpath=".//cml:array[@dictRef='cc:secondderiv']" name="type" value="lowerTriangle" />
<transform process="joinArrays" xpath=".//cml:array[@dictRef='cc:eigenval']" />
<transform process="delete" xpath=".//*[@dictRef='x:x']" />
<transform process="pullup" xpath=".//cml:array" repeat="3" />
<transform process="delete" xpath=".//cml:module[count(*)=0]" />
<transform process="delete" xpath=".//cml:module[@cmlx:templateRef='NULL_ID']" />
<transform process="delete" xpath=".//cml:list[count(*)=0]" />
<transform process="delete" xpath=".//cml:list[count(*)=0]" />