source: molecuilder/src/datacreator.hpp

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Diff Rev Age Author Log Message
(edit) @5fd79e   17 years FrederikHeber Implemented Frobenius norm calculation for class HessianMatrix …
(edit) @aa2e37   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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