module


Implementation level
Type Status
CML extraction template image0
HTML5 representation image1
Template attributes
Attribute Value
source Turbomole log
id module
name Generic module capturing template
pattern \s{ 20,}(thississ*)?wswsws.*
endPattern \s*****s*w*s:sallsdones*****.*
endOffset 1
repeat *
xml:base module.xml

Comment.

                                  R I C C 2 - PROGRAM

                          the quantum chemistry groups
                             at the universities in
                           Karlsruhe, Bochum > Mainz
                                   Germany

...
   ****  ricc2 : all done  ****

Comment.

                               this is S T A T P T


                     hessian and coordinate update for
                          stationary point search

                     by barbara unterreiner, marek sierka,
                           and reinhart ahlrichs

                          quantum chemistry group
                          universitaet  karlsruhe
                                  germany

...
   ****  statpt : all done  ****

Comment.

                               r d g r a d

                        gradient for ridft program

                      by K.Eichkorn, O.Treutler, H.Oehm,
                           M.Haeser and R.Ahlrichs
                (Chemical Physics Letters 242 (1995) 652-660)
                  parallel version: M.v.Arnim  &  R.Ahlrichs
                          quantum chemistry group
                           university  karlsruhe
                                 germany

  ...
****  rdgrad : all done  ****

Template definition.

<templateList>  <xi:include href="title.xml" />  <xi:include href="ricc2/ricc2.xml" />  <xi:include href="atomcoord.xml" />  <xi:include href="population/population.analysis.xml" />  <xi:include href="basisset.xml" />  <xi:include href="symmetry.xml" />  <xi:include href="ground.state.xml" />  <xi:include href="orbitals.xml" />  <xi:include href="tddft/excitation.xml" />  <xi:include href="tddft/totalroots.xml" />  <xi:include href="cosmo.xml" />  <xi:include href="electrostatic.moments.xml" />  <xi:include href="molecularorbitals/molecular.orbitals.xml" />  <xi:include href="molecularorbitals/molecular.orbital.statistic.xml" />  <xi:include href="s2.xml" />  <xi:include href="minimumts/convergence.info.xml" />  <xi:include href="nuclear.repulsion.xml" />  <xi:include href="energy.xml" />  <xi:include href="zero.point.energy.xml" />  <xi:include href="fit/fit.pointcharges.xml" />
        </templateList>