source: molecuilder/src/analyzer.cpp

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Diff Rev Age Author Log Message
(edit) @fa2d7d   17 years FrederikHeber Analyzer now writes usable plot and data files for shielding …
(edit) @93d0ee   17 years FrederikHeber Analyzer now prints usable ShieldingsPAS data and plot files (so that …
(edit) @e6971b   17 years FrederikHeber analyzer has been adapted to the aforementioned change in the calling …
(edit) @7b67a3   17 years FrederikHeber Splitting MatrrixContainer::ParseMatrix in ParseMatrix ParseMatrix …
(edit) @d24e8f0   17 years FrederikHeber Time analysis is back in
(edit) @e8dd4d   17 years FrederikHeber pcp.speed is parsed and analyzed again (Time matrices). This was …
(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) @75793b2   17 years FrederikHeber these are all smaller fixes due to extensively enabled compiler …
(edit) @f75030   17 years FrederikHeber Lots of for loops now count in reverse order where it does not matter, …
(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 …
(edit) @bd8439   17 years FrederikHeber main(): thrown out unused stringstreams prefix and line
(add) @a0bcf1   17 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
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