source: molecuilder/src/joiner.cpp

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Diff Rev Age Author Log Message
(edit) @848729   17 years FrederikHeber Just a temporary commit
(edit) @7b67a3   17 years FrederikHeber Splitting MatrrixContainer::ParseMatrix in ParseMatrix ParseMatrix …
(edit) @db3ea3   17 years FrederikHeber BIG change: Hcorrection included and bugfix of analyzer (wrt forces) … JoinAnalysis_works_for_forces
(edit) @375dcf   17 years FrederikHeber introduced shieldings to analyzer and joiner both now handle …
(edit) @33c05d   17 years FrederikHeber one lousy space added
(edit) @59ddad   17 years FrederikHeber joiner now writes ENERGYPERFRAGMENT file for adaptive BOSSANOVA
(edit) @115bf4   17 years FrederikHeber ForcesFile and TEFactors are _needed_, reincorporated. UniqueFragments …
(edit) @c75363   17 years FrederikHeber HUGE REWRITE to allow for adaptive increase of the bond order, first …
(add) @a0bcf1   17 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
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