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@a71ad8
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15 years |
FrederikHeber |
Begin of Refactoring of ParseCommandLineOptions().
- new singleton …
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@7ac765
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15 years |
FrederikHeber |
Introducing small actions.
- new directory MoleculeAction to contain …
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@83afe0
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15 years |
FrederikHeber |
Extended UIFactory to a CommandLine derivate.
- Dialog now has …
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@401b97
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15 years |
FrederikHeber |
minor change: put entries in molecuilder/src/Makefile.am into …
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@0647f4
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15 years |
FrederikHeber |
Merge branch 'StateAndFormatParser' into CommandLineActionMapping
…
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@25e17e9
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15 years |
Till Crueger |
Added a line class that represents one dimensional subspaces
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@4eee8f
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15 years |
Till Crueger |
Declared the Vector class as single point spaces
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@7a8319
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15 years |
Till Crueger |
Added more Exceptions to the project to signal differen Math erorrs
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@0e9394
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15 years |
Till Crueger |
Added a class Space to represent general subspaces of R3 (planes and …
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@0d111b
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15 years |
Till Crueger |
Merge branch 'VectorRefactoring' into StructureRefactoring
Conflicts: …
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@32842d8
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15 years |
Till Crueger |
Removed Algebraic Hierachy from vector.
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@90c4460
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15 years |
Till Crueger |
Added a small memory tracker to the programm.
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@075729
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15 years |
FrederikHeber |
Merge branch 'Analysis_PairCorrelation' into StructureRefactoring
…
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@e7ea64
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15 years |
Till Crueger |
Changed implementation of Vector to forward operations to contained objects
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@0f55b2
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15 years |
Till Crueger |
Started work on the VectorComposites
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@71910a
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15 years |
Till Crueger |
Made data internal data-structure of vector class private
- Replaced …
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@0f7883
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15 years |
Saskia Metzler |
Merge Till's structure refactoring
Merge commit …
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@2704e2
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16 years |
Saskia Metzler |
WIP tremolo parser
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@8d9984
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16 years |
Till Crueger |
Added full undo functioniality
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@43ed42
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16 years |
Till Crueger |
Added custom Assert makro that allows ignoring asserts
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@5738177
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16 years |
Till Crueger |
Added a generic Iterator that can be used to iterate only over certain …
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@c3f8c4
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16 years |
Till Crueger |
Made logger class use the new Singleton framework
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@fd9d77
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16 years |
Saskia Metzler |
solve merge conflict
Merge commit 'till/StructureRefactoring' into …
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@f2efcf
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16 years |
Saskia Metzler |
the XYZ parser
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@f058ef
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16 years |
Till Crueger |
Added methods to query Molecules by ID
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@4938aa
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16 years |
Saskia Metzler |
Merge commit 'till/StructureRefactoring' into StateAndFormatParser
…
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@837c22
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16 years |
Saskia Metzler |
Work-in-progress commit of parser and changeTracker
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@14d898
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16 years |
Till Crueger |
Added methods for querying molecules using descriptors
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@9565ec
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16 years |
FrederikHeber |
singleton class World introduced, contains only cell_size from class …
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@f7b476
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16 years |
FrederikHeber |
New class TriangleIntersection List and (hopefully) final fix of …
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@dc5413
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16 years |
Till Crueger |
Merge branch 'FreddiesRefactoring' into StructureRefactoring
…
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@e65cc0
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16 years |
Till Crueger |
Small fixes
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@98a2987
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16 years |
Till Crueger |
Added -Wall flag and fixed several small hickups
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@a1a532
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16 years |
Till Crueger |
moved Iterators for the World to a seperate file
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@e7e088
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16 years |
Till Crueger |
Added Descriptor that allows querying of atoms by their type
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@7bfc19
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16 years |
Till Crueger |
Made the world solely responsible for creating and destroying atoms.
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@5d4edf
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16 years |
Till Crueger |
Added a class that allows constructing Processes that have a result
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@536380
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16 years |
Till Crueger |
Added a progress indicator for the text menu
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@b53a7e
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16 years |
Till Crueger |
Added a special class of Actions that take some time.
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@86b917
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16 years |
Till Crueger |
Added descriptors that allow multiple kinds of access to atoms
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@d2d8f5
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16 years |
Till Crueger |
Made all atoms register themselves with the world upon creation
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@42918b
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16 years |
Till Crueger |
Fixed some problems with the usage of Boost::threads
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@181488
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16 years |
Till Crueger |
Added a directory to quarantine files that should be completely …
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@2e8296
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16 years |
Till Crueger |
Started development of World Class
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@4272f0
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16 years |
Till Crueger |
Added possibility to disable caching mechanism at compile time
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@d0c7ec
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16 years |
Till Crueger |
Added data structure to allow caching of derived values
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@795b4d
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16 years |
Till Crueger |
Moved method to rename molecules to a seperate Action
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@6997fa
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16 years |
Till Crueger |
Added a view that displays all molecules using a QTableWidget
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@03d7ac
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16 years |
Till Crueger |
Added generic observer pattern framework.
(cherry picked from commit …
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@d34341
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16 years |
Till Crueger |
Merge commit 'heber/Analysis_PairCorrelation' into MenuRefactoring
…
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@41182a
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16 years |
Till Crueger |
Merge commit 'heber/Analysis_PairCorrelation' into MenuRefactoring
…
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@247d49
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16 years |
FrederikHeber |
Wrapper class for gsl_linalg along with working Unit test.
- new …
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@e651e7
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16 years |
FrederikHeber |
Wrapper class for gsl_matrix along with working Unit test.
- new …
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@22b47e
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16 years |
FrederikHeber |
Wrapper class for gsl_vector along with working Unit test.
- new …
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@3e8325
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16 years |
Till Crueger |
Added a central registry that allows access to actions by name.
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@6d21bd
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16 years |
Till Crueger |
Added Basis for creating globally accessible and compatible UIElements …
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@70c4aa6
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16 years |
Till Crueger |
Extracted all methods from MergeMolecules Menu
- Added new action …
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@32df34
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16 years |
Till Crueger |
Added an action that allows grouping and grouped execution of several …
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@425da9
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16 years |
Till Crueger |
Added mechanism that allow to store and later execute sequences of Actions.
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@b7f3f3
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16 years |
FrederikHeber |
Removed --tags as we have signed the "initial_commit" tag.
- git …
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@df55a0
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16 years |
FrederikHeber |
Added basic View functionality. - Added DisplayMenuItem to show …
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@d20ed5
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16 years |
FrederikHeber |
Added basic menu and action framework
- Added action base class
- …
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@7df43b
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16 years |
FrederikHeber |
Started refactoring of the menu. - Created new menu class - moved all …
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@ef87ee
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16 years |
FrederikHeber |
Added versioning to each executable.
- credits to Ralf Wildenhues for …
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@edf611
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16 years |
FrederikHeber |
New Info class that contains a global verbosity level, increased per …
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@341850
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16 years |
FrederikHeber |
Added initial analysis_bonds.cpp and unit test for Analysis of bonds.
…
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@543ce4
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16 years |
FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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@ec70ec
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16 years |
FrederikHeber |
Merge branch 'CodeRefactoring' of …
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@5f697c
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16 years |
FrederikHeber |
New class BondGraph.
- BondGraph parses a file containing bond …
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@2e2a70
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16 years |
FrederikHeber |
Refactored atom.cpp into multiple files.
After the class atom was …
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@57cfb7
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16 years |
FrederikHeber |
Pair correlation analysis added.
- new file analysis_correlation.cpp …
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@e71890
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16 years |
FrederikHeber |
Merge branch 'new-delete-conversion' into CodeRefactoring
Conflicts:
…
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@17b3a5c
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16 years |
FrederikHeber |
forward declarations used to untangle interdependet classes.
- …
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@afbb6c0
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16 years |
Saskia Metzler |
Ticket 30: Put molecuilder unit tests in their own subfolder in src
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@53f32e
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16 years |
Saskia Metzler |
temp commit
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@8ffe32
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16 years |
FrederikHeber |
More functions of molecule now use templated iterators.
- the …
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@f92d00
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16 years |
FrederikHeber |
class molecule implementation split up into six separate parts.
- …
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@4bc937
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16 years |
FrederikHeber |
Member functions of Vector class may be called while going over an …
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@424d1ce
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16 years |
FrederikHeber |
Merge branch 'ConvexHull' into ActOnAll
Conflicts:
…
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@9c32a1
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16 years |
FrederikHeber |
Included BOOST library MPL into autoconf setup.
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@58808e
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16 years |
FrederikHeber |
Fixed testsuite, removed some minor bugs.
- …
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@8afe31
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16 years |
FrederikHeber |
Merge branch 'ConcaveHull' into ConvexHull
Conflicts:
.gitignore …
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@ef36b84
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16 years |
FrederikHeber |
ActOnAll is a test (not in the molecuilder source tree, but as a …
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@14db08
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16 years |
Saskia Metzler |
#19 Observe memory usage
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@f2dfc5
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16 years |
FrederikHeber |
Added Tesselation unit test
- new file tesselationunittest with …
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@390a2b
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16 years |
Saskia Metzler |
Ticket 11: use templates and/or traits to fix Malloc/ReAlloc-Free …
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@6c09a4
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16 years |
FrederikHeber |
VectorUnitTest extended to Projections and Line intersection, some …
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@da84d6
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16 years |
FrederikHeber |
Incorporation of Unit test on class Vector.
- new file …
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@4dca8e
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16 years |
FrederikHeber |
definitions for class element and verbose moved to their own header …
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@e78824
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16 years |
FrederikHeber |
class config definitions moved to their own header file.
NOTE: …
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@834ff3
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16 years |
FrederikHeber |
Huge refactoring of Tesselation routines, but not finished yet.
- new …
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@4e4940
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16 years |
FrederikHeber |
We are one step further in fixing the convex hull: There are two …
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@f39735
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16 years |
FrederikHeber |
Merge branch 'MultipleMolecules'
Conflicts:
…
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@3b470f
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16 years |
FrederikHeber |
Merge branch 'Thermostat'
Conflicts:
.gitignore
Makefile.am …
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@e08f45
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17 years |
FrederikHeber |
Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
…
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@848729
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17 years |
FrederikHeber |
Just a temporary commit
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@bb28e0
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17 years |
FrederikHeber |
Some files were missing in the repository
pseudopotentials and the …
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@644ba1
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17 years |
FrederikHeber |
Adaptivity fixes, MD by VerletForceIntegration introduced, MD …
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@375dcf
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17 years |
FrederikHeber |
introduced shieldings to analyzer and joiner
both now handle …
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@e292c10
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17 years |
FrederikHeber |
VolumeOfConvexEnvelope: Works!
VolumeOfConvexEnvelope has been …
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