source: molecuilder/src/datacreator.hpp

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(edit) @17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
(edit) @c3a303   16 years FrederikHeber Merge branch 'master' into ConcaveHull Conflicts: …
(edit) @f39735   16 years FrederikHeber Merge branch 'MultipleMolecules' Conflicts: …
(edit) @09f4dc   16 years FrederikHeber Merge branch 'HessianMatrix'
(edit) @c12297   16 years FrederikHeber fixed compiler warning: deprecated conversion from string const to …
(edit) @e08f45   17 years FrederikHeber Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull Conflicts: …
(edit) @848729   17 years FrederikHeber Just a temporary commit
(edit) @95628a   17 years FrederikHeber Implemented Frobenius norm calculation for class HessianMatrix …
(edit) @f98e5a   17 years FrederikHeber HessianMatrix implemented fully, but not yet working, probably due to …
(edit) @b248ca   17 years FrederikHeber new function AppendOutputFile() for appending to output files whereas …
(edit) @db3ea3   17 years FrederikHeber BIG change: Hcorrection included and bugfix of analyzer (wrt forces) … JoinAnalysis_works_for_forces
(add) @a0bcf1   17 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
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