l202.distmat

Gaussian log

Table 219. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

None implementation


Table attributesTable. Template attributes

AttributeValue
source Gaussian log
idl202.distmat
nameDistance matrix
repeat*
pattern\s*Distance matrix.*$[\s\d]+
endPattern\s?[A-Z].*
xml:basel202/l202.distmat.xml


Input. 

                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Al   0.000000
     2  Al   1.534811   0.000000
     3  Al   2.965253   1.534811   0.000000
     4  Al   4.193182   2.964801   1.534811   0.000000
     5  Al   5.135969   4.193182   2.965253   1.534811   0.000000
     6  Al   5.727993   5.135187   4.193182   2.964801   1.534811
     7  Al   5.930507   5.727993   5.135969   4.193182   2.965253
     8  Al   5.727993   5.929603   5.727993   5.135187   4.193182
     9  Al   5.135969   5.727993   5.930507   5.727993   5.135969
    10  Al   4.193182   5.135187   5.727993   5.929603   5.727993
    11  Al   2.965253   4.193182   5.135969   5.727993   5.930507
    12  Al   1.534811   2.964801   4.193182   5.135187   5.727993
                    6          7          8          9         10
     6  Al   0.000000
     7  Al   1.534811   0.000000
     8  Al   2.964801   1.534811   0.000000
     9  Al   4.193182   2.965253   1.534811   0.000000
    10  Al   5.135187   4.193182   2.964801   1.534811   0.000000
    11  Al   5.727993   5.135969   4.193182   2.965253   1.534811
    12  Al   5.929603   5.727993   5.135187   4.193182   2.964801
                   11         12
    11  Al   0.000000
    12  Al   1.534811   0.000000
 Test    
  

Input. 

                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  H    1.113000   0.000000
     3  H    1.113000   1.817522   0.000000
     4  H    1.113000   1.817521   1.817522   0.000000
     5  H    1.113000   1.817522   1.817522   1.817522   0.000000
 Test 
  

Output text. 

<comment class="example.output" id="l202.distmat.1">
    <module cmlx:templateRef="l202.distmat">
      <array dataType="xsd:double" size="78" dictRef="cc:distance">0.0 1.534811 0.0 2.965253 1.534811 0.0 4.193182 2.964801 1.534811 0.0 5.135969 4.193182 2.965253 1.534811 0.0 5.727993 5.135187 4.193182 2.964801 1.534811 0.0 5.930507 5.727993 5.135969 4.193182 2.965253 1.534811 0.0 5.727993 5.929603 5.727993 5.135187 4.193182 2.964801 1.534811 0.0 5.135969 5.727993 5.930507 5.727993 5.135969 4.193182 2.965253 1.534811 0.0 4.193182 5.135187 5.727993 5.929603 5.727993 5.135187 4.193182 2.964801 1.534811 0.0 2.965253 4.193182 5.135969 5.727993 5.930507 5.727993 5.135969 4.193182 2.965253 1.534811 0.0 1.534811 2.964801 4.193182 5.135187 5.727993 5.929603 5.727993 5.135187 4.193182 2.964801 1.534811 0.0</array>
    </module>
  </comment>

Output text. 

<comment class="example.output" id="l202.distmat.2">
    <module cmlx:templateRef="l202.distmat">
      <array dataType="xsd:double" size="15" dictRef="cc:distance">0.0 1.113 0.0 1.113 1.817522 0.0 1.113 1.817521 1.817522 0.0 1.113 1.817522 1.817522 1.817522 0.0</array>
    </module>
  </comment>