l716.secondderiv

Implementation level
Type Status
CML extraction template image0
HTML5 representation image1
Template attributes
Attribute Value
source Gaussian log
id l716.secondderiv
pattern \s*The second derivative matrix:s*
repeat *
endPattern \s*E igenvalues.*$…..[^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.

<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.

<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]" />