source: molecuilder/src/boundary.cpp

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Diff Rev Age Author Log Message
(edit) @70c4567   16 years FrederikHeber New function ConvexizeNonconvexEnvelope() to calculate the volume of a …
(edit) @0cf171   16 years FrederikHeber BUGFIXes to Find_convex_... and Find_non_convex_... algorithms - …
(edit) @609e48   16 years FrederikHeber output of terminating special property comment in .r3d file had no "#" …
(edit) @0fc0b5   16 years FrederikHeber Test case of filling a simulation domain with water included.
(edit) @7aa922   16 years FrederikHeber find_(non)_convex_border TesselStruct is not free'd anymore, …
(edit) @f4a346   16 years FrederikHeber Merge branch 'TesselationRefactoring' into ConcaveHull Conflicts: …
(edit) @0e2190   16 years FrederikHeber Merge branch 'ConcaveHull' of …
(edit) @e8de2e   16 years Saskia Metzler Adding functions IsInnerAtom() and IsInnerPoint() which can check …
(edit) @eb167d   16 years FrederikHeber Some minor fixes with regards to what needs to be included where and …
(edit) @834ff3   16 years FrederikHeber Huge refactoring of Tesselation routines, but not finished yet. - new …
(edit) @4e4940   16 years FrederikHeber We are one step further in fixing the convex hull: There are two …
(edit) @3dc682   16 years FrederikHeber Convex tesselation is now working also for heptan. But the convex hull …
(edit) @78b45a   16 years FrederikHeber ConvexTesselation working again. - File was not written, as NULL was …
(edit) @dd69cc   16 years FrederikHeber FIX: DetermineCenterOfAll() did point in wrong direction, convex …
(edit) @53d153   16 years FrederikHeber Split VolumeOfConvexEnvelope() into find_convex_border() and …
(edit) @c3a303   16 years FrederikHeber Merge branch 'master' into ConcaveHull Conflicts: …
(edit) @a048fa   16 years FrederikHeber fixed indentation from tabs to two spaces.
(edit) @f39735   16 years FrederikHeber Merge branch 'MultipleMolecules' Conflicts: …
(edit) @560995   16 years FrederikHeber Fix indentation from tabs to two spaces to prepare merging with …
(edit) @1b2aa1   16 years FrederikHeber Fix indentation from tab to two spaces. The trouble was caused at the …
(edit) @3b470f   16 years FrederikHeber Merge branch 'Thermostat' Conflicts: .gitignore Makefile.am …
(edit) @6fb785   16 years FrederikHeber molecule::CenterInBox puts atoms now periodically into the given box, …
(edit) @a8c8ba   16 years FrederikHeber FIX: Now tries each of the axis direction to find a starting triangle …
(edit) @8bbe43   16 years FrederikHeber Lots of changes to the number of output messages. As the finding of …
(edit) @438506   16 years FrederikHeber Fixed all of the remaining memory leaks due to …
(edit) @669a7e   16 years FrederikHeber fixed compiler warning by changing int to size_t because C++ STL …
(edit) @12cf763   16 years FrederikHeber Removed unnecessary code - Choose_preferable_third_point() - already …
(edit) @49c774   16 years FrederikHeber BUGFIX: Memory leak due to special triangles and similar lines in …
(edit) @30212a8   16 years FrederikHeber FIX: CheckLineCriteriaforDegeneratedTriangle contains criteria when we … TesselationWORKING
(edit) @a811a0   16 years FrederikHeber BUGFIX: Initial edge for starting triangle may be up to TWICE the …
(edit) @eeae5b   16 years FrederikHeber Cosmetical changes in Find_third_point_for_tesselation() and …
(edit) @d2639f   16 years FrederikHeber All of Saskia Metzler's changes so far to remove bugs from Tesselation …
(edit) @bb12e7   16 years FrederikHeber removed lots of warnings due to unused variables This arose due to …
(edit) @899029f   16 years FrederikHeber Framework for embedding one molecule into another, now the embedding …
(edit) @e08f45   17 years FrederikHeber Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull Conflicts: …
(edit) @d3d15c   17 years FrederikHeber Find_non_convex_border(): calls CreateAdjacencyList() to fill bond list
(edit) @848729   17 years FrederikHeber Just a temporary commit
(edit) @3d9045   17 years FrederikHeber Merge branch 'ConcaveHull' of …
(edit) @eec6c8   17 years FrederikHeber Now we also produce Raster3D output files additionally to TecPlot ones …
(edit) @2ac928   17 years neuen fancy commit
(edit) @fe3c9a   17 years FrederikHeber Merge branch 'ConcaveHull' of …
(edit) @07c050   17 years FrederikHeber Cleaned up all debugging output
(edit) @56a489   17 years neuen BallAngel enhanced, added new alternative direction for issues with …
(edit) @edf4a0   17 years neuen Switched choice process to Ball angle completely. Problem remains. …
(edit) @2b7a1a   17 years neuen First change to Ball angle as criteria, however, change sucks.
(edit) @87c8e7   17 years neuen Solved possible problem with Second quadrant overhaul
(edit) @313dff   17 years neuen Tesselation starts to look good, minor discrepancies are still there …
(edit) @5a447f   17 years neuen Atom indices are now correctly processed.
(edit) @735468   17 years neuen Another update w.r.t. the Tesselation. Some signs switched, but atom …
(edit) @db177a   17 years neuen several changes, now output is created, quality unknown
(edit) @e0c5b1   17 years neuen Multiple changes to boundary, currently not fully operational. …
(edit) @6b3826   17 years neuen In vector a function for calculation of the vector-(cross-)product has …
(edit) @59f86c   17 years FrederikHeber VolumeOfConvexEnvelope() has new parameter with tecplot ofstream and …
(edit) @7a3724   17 years FrederikHeber new version of Tesselation::GuessStartingTriangle() seems to fix …
(edit) @51d33c   17 years FrederikHeber BUGFIX: Tesselation::AddPoint() always increased …
(edit) @dfc1c7   17 years FrederikHeber moved all definitions from boundary.hpp to molecules.hpp, and renamed …
(edit) @8f8621   17 years FrederikHeber Rename of class vector to Vector to avoid conflict with vector from STL.
(edit) @375dcf   17 years FrederikHeber introduced shieldings to analyzer and joiner both now handle …
(edit) @0779a9   17 years FrederikHeber some mor changes to fine-tune the cluster generation. Sadly, …
(edit) @3f0c46   17 years FrederikHeber Final touches for Create Clusters in water repetition in …
(edit) @7fcea6   17 years FrederikHeber Smaller fixes CreateClustersinWater is now PrepareClustersinWater (as …
(add) @dcf51d   17 years FrederikHeber StorePeriodentafel(): BUGFIX - there still was elements.db instead of …
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