../
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Actions
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632bc3
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15 years
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Till Crueger |
Added a small memory tracker to the programm.
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Descriptors
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6e97e5
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15 years
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Till Crueger |
Added a generic Iterator that can be used to iterate only over certain …
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Exceptions
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3cdd16
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15 years
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Till Crueger |
Added more Exceptions to the project to signal differen Math erorrs
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Helpers
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f2f4ae
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15 years
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Till Crueger |
Made the memory debugger thread safe
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Legacy
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273382
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15 years
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Till Crueger |
Prepared interface of Vector Class for transition to VectorComposites
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Menu
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f9352d
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15 years
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Till Crueger |
Added mechanism that deactivates undo and redo menupoint if not applicable
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Patterns
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033a05
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15 years
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Till Crueger |
Small improvements to Observer code
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test
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273382
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15 years
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Till Crueger |
Prepared interface of Vector Class for transition to VectorComposites
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UIElements
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8de8f7
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15 years
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Till Crueger |
Made the input methods more robust to invalid inputs.
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unittests
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f2f4ae
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15 years
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Till Crueger |
Made the memory debugger thread safe
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Views
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24a5e0
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15 years
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Till Crueger |
Added -Wall flag and fixed several small hickups
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analysis_bonds.cpp
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11.0 KB
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68f03d
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15 years
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Till Crueger |
FIX: Memory corruption in particleInfo class
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analysis_bonds.hpp
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1.3 KB
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388049
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15 years
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FrederikHeber |
Moved functions CountBondsOfTwo(), CountBondsOfThree() and …
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analysis_correlation.cpp
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19.2 KB
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1513a74
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15 years
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Till Crueger |
Declared the Vector class as single point spaces
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analysis_correlation.hpp
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5.2 KB
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58ed4a
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15 years
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FrederikHeber |
Log() and eLog() are prepended by a DoLog()/DoeLog() construct.
- …
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analyzer.cpp
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33.9 KB
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a67d19
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15 years
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FrederikHeber |
Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) …
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atom.cpp
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9.4 KB
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68f03d
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15 years
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Till Crueger |
FIX: Memory corruption in particleInfo class
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atom.hpp
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3.6 KB
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ead4e6
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15 years
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Till Crueger |
Made the periodentafel use STL-containers instead of custom llists
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atom_atominfo.cpp
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553 bytes
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ead4e6
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15 years
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Till Crueger |
Made the periodentafel use STL-containers instead of custom llists
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atom_atominfo.hpp
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1.0 KB
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ead4e6
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15 years
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Till Crueger |
Made the periodentafel use STL-containers instead of custom llists
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atom_bondedparticle.cpp
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5.5 KB
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68f03d
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15 years
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Till Crueger |
FIX: Memory corruption in particleInfo class
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atom_bondedparticle.hpp
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1.3 KB
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1f1b23
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15 years
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FrederikHeber |
Possibility to store all bonds to file added.
So far we only could …
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atom_bondedparticleinfo.cpp
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360 bytes
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6b919f8
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15 years
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FrederikHeber |
Refactored atom.cpp into multiple files.
After the class atom was …
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atom_bondedparticleinfo.hpp
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1012 bytes
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6b919f8
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15 years
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FrederikHeber |
Refactored atom.cpp into multiple files.
After the class atom was …
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atom_graphnode.cpp
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1.1 KB
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68f03d
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15 years
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Till Crueger |
FIX: Memory corruption in particleInfo class
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atom_graphnode.hpp
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846 bytes
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e138de
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15 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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atom_graphnodeinfo.cpp
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477 bytes
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6b919f8
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15 years
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FrederikHeber |
Refactored atom.cpp into multiple files.
After the class atom was …
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atom_graphnodeinfo.hpp
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1.4 KB
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6b919f8
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15 years
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FrederikHeber |
Refactored atom.cpp into multiple files.
After the class atom was …
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atom_particleinfo.cpp
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808 bytes
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68f03d
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15 years
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Till Crueger |
FIX: Memory corruption in particleInfo class
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atom_particleinfo.hpp
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990 bytes
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68f03d
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15 years
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Till Crueger |
FIX: Memory corruption in particleInfo class
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atom_trajectoryparticle.cpp
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9.7 KB
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1513a74
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15 years
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Till Crueger |
Declared the Vector class as single point spaces
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atom_trajectoryparticle.hpp
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2.1 KB
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b453f9
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15 years
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FrederikHeber |
Begun with ticket #38 (make const what is const).
- basically all …
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atom_trajectoryparticleinfo.cpp
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441 bytes
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6b919f8
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15 years
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FrederikHeber |
Refactored atom.cpp into multiple files.
After the class atom was …
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atom_trajectoryparticleinfo.hpp
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912 bytes
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6b919f8
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15 years
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FrederikHeber |
Refactored atom.cpp into multiple files.
After the class atom was …
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bond.cpp
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3.6 KB
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68f03d
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15 years
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Till Crueger |
FIX: Memory corruption in particleInfo class
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bond.hpp
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2.0 KB
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b9947d
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15 years
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FrederikHeber |
New function bond::GetDistance...()
- bond::GetDistance() and …
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bondgraph.cpp
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5.8 KB
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a67d19
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15 years
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FrederikHeber |
Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) …
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bondgraph.hpp
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1.6 KB
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388049
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15 years
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FrederikHeber |
Moved functions CountBondsOfTwo(), CountBondsOfThree() and …
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boundary.cpp
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50.3 KB
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8f215d
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15 years
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Till Crueger |
Simplified tesselation.cpp by allowing direct access to derived …
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boundary.hpp
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2.8 KB
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775d133
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15 years
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FrederikHeber |
Filling has a MaxDistance, somes changes to the Correlation Analysis.
…
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builder.cpp
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122.0 KB
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68f03d
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15 years
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Till Crueger |
FIX: Memory corruption in particleInfo class
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config.cpp
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106.3 KB
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68f03d
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15 years
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Till Crueger |
FIX: Memory corruption in particleInfo class
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config.hpp
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4.5 KB
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235bed
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15 years
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Till Crueger |
Moved saveConfig method from oldmenu to a method inside config class
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datacreator.cpp
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35.8 KB
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a67d19
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15 years
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FrederikHeber |
Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) …
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datacreator.hpp
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5.0 KB
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f66195
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15 years
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FrederikHeber |
forward declarations used to untangle interdependet classes.
- …
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defs.hpp
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4.9 KB
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b48ba6
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15 years
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FrederikHeber |
Shifted BONDTHRESHOLD from defs.hpp over to bondgraph.hpp and lowered …
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element.cpp
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1.7 KB
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ead4e6
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15 years
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Till Crueger |
Made the periodentafel use STL-containers instead of custom llists
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element.hpp
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2.0 KB
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ead4e6
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15 years
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Till Crueger |
Made the periodentafel use STL-containers instead of custom llists
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elements.db
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4.4 KB
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6ac7ee
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16 years
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FrederikHeber |
Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
…
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ellipsoid.cpp
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16.9 KB
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a67d19
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15 years
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FrederikHeber |
Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) …
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ellipsoid.hpp
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1.2 KB
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e138de
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15 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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errorlogger.cpp
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1.9 KB
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90f680
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15 years
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FrederikHeber |
FIX: errorLogger now has absolute verbosity (i.e. CRITIAL is whatever …
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errorlogger.hpp
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807 bytes
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ed58ad
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15 years
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Till Crueger |
Made the errorLogger use the new Singleton framework
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graph.cpp
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3.8 KB
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a67d19
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15 years
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FrederikHeber |
Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) …
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graph.hpp
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2.9 KB
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e138de
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15 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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gslmatrix.cpp
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7.2 KB
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0a4f7f
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15 years
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Till Crueger |
Made data internal data-structure of vector class private
- Replaced …
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gslmatrix.hpp
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1.4 KB
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1f61b6
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15 years
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FrederikHeber |
Inclusion of config.h was missing.
This caused a bug with GSL's …
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gslvector.cpp
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7.7 KB
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b11d3b
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15 years
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FrederikHeber |
Added operators and state checkers to GSLVector.
- added operators …
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gslvector.hpp
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1.8 KB
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b11d3b
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15 years
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FrederikHeber |
Added operators and state checkers to GSLVector.
- added operators …
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Hbondangle.db
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180 bytes
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6ac7ee
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16 years
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FrederikHeber |
Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
…
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Hbonddistance.db
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204 bytes
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6ac7ee
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16 years
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FrederikHeber |
Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
…
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helpers.cpp
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6.7 KB
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a67d19
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15 years
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FrederikHeber |
Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) …
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helpers.hpp
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3.4 KB
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a67d19
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15 years
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FrederikHeber |
Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) …
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info.cpp
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721 bytes
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a67d19
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15 years
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FrederikHeber |
Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) …
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info.hpp
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609 bytes
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8725ed
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15 years
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FrederikHeber |
New Info class that contains a global verbosity level, increased per …
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joiner.cpp
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11.6 KB
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a67d19
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15 years
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FrederikHeber |
Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) …
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leastsquaremin.cpp
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686 bytes
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0a4f7f
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15 years
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Till Crueger |
Made data internal data-structure of vector class private
- Replaced …
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leastsquaremin.hpp
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950 bytes
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ead4e6
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15 years
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Till Crueger |
Made the periodentafel use STL-containers instead of custom llists
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Line.cpp
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632 bytes
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6f646d
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15 years
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Till Crueger |
Added a line class that represents one dimensional subspaces
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Line.hpp
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493 bytes
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6f646d
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15 years
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Till Crueger |
Added a line class that represents one dimensional subspaces
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linearsystemofequations.cpp
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3.6 KB
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0a4f7f
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15 years
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Till Crueger |
Made data internal data-structure of vector class private
- Replaced …
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linearsystemofequations.hpp
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1.1 KB
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1f61b6
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15 years
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FrederikHeber |
Inclusion of config.h was missing.
This caused a bug with GSL's …
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linkedcell.cpp
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14.0 KB
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a67d19
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15 years
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FrederikHeber |
Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) …
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linkedcell.hpp
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2.4 KB
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ffe885
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15 years
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FrederikHeber |
BUGFIX: LinkedCell::GetPointsInsideSphere() did not work if center of …
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lists.hpp
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3.5 KB
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d3347e
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15 years
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Till Crueger |
FIX: repaired compiler problems for latest refactoring
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log.cpp
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1.4 KB
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90f680
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15 years
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FrederikHeber |
FIX: errorLogger now has absolute verbosity (i.e. CRITIAL is whatever …
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log.hpp
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323 bytes
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58ed4a
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15 years
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FrederikHeber |
Log() and eLog() are prepended by a DoLog()/DoeLog() construct.
- …
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logger.cpp
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1.4 KB
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aee1a3
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15 years
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Till Crueger |
Made logger class use the new Singleton framework
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logger.hpp
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752 bytes
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aee1a3
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15 years
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Till Crueger |
Made logger class use the new Singleton framework
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Makefile.am
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7.1 KB
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6f646d
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15 years
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Till Crueger |
Added a line class that represents one dimensional subspaces
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memoryallocator.hpp
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4.1 KB
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f2bb0f
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15 years
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Till Crueger |
FIX: Repaired memory smashing in CreateAdjacencyList
BROKEN: …
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memoryusageobserver.cpp
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2.9 KB
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a67d19
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15 years
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FrederikHeber |
Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) …
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memoryusageobserver.hpp
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1.3 KB
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f66195
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15 years
|
FrederikHeber |
forward declarations used to untangle interdependet classes.
- …
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molecule.cpp
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46.8 KB
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bab12a
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15 years
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Till Crueger |
FIX: Fix of bug introduced during Vector Refactoring
Testsuite now …
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molecule.hpp
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22.1 KB
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273382
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15 years
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Till Crueger |
Prepared interface of Vector Class for transition to VectorComposites
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molecule_dynamics.cpp
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34.8 KB
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1513a74
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15 years
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Till Crueger |
Declared the Vector class as single point spaces
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molecule_fragmentation.cpp
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80.1 KB
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d4c9ae
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15 years
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Till Crueger |
Removed the DistanceToPlane method in the Vector class in favor of a …
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molecule_geometry.cpp
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17.9 KB
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68f03d
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15 years
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Till Crueger |
FIX: Memory corruption in particleInfo class
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molecule_graph.cpp
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63.2 KB
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68f03d
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15 years
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Till Crueger |
FIX: Memory corruption in particleInfo class
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molecule_pointcloud.cpp
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1.7 KB
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c72112
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15 years
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Till Crueger |
Repaired GetMAxId() method of molecule
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molecule_template.hpp
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16.3 KB
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273382
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15 years
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Till Crueger |
Prepared interface of Vector Class for transition to VectorComposites
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moleculelist.cpp
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47.8 KB
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68f03d
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15 years
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Till Crueger |
FIX: Memory corruption in particleInfo class
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orbitals.db
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442 bytes
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6ac7ee
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16 years
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FrederikHeber |
Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
…
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parser.cpp
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47.8 KB
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68f03d
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15 years
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Till Crueger |
FIX: Memory corruption in particleInfo class
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parser.hpp
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4.8 KB
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f66195
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15 years
|
FrederikHeber |
forward declarations used to untangle interdependet classes.
- …
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periodentafel.cpp
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11.1 KB
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a67d19
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15 years
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FrederikHeber |
Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) …
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periodentafel.hpp
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1.8 KB
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ead4e6
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15 years
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Till Crueger |
Made the periodentafel use STL-containers instead of custom llists
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Plane.cpp
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7.0 KB
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d4c9ae
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15 years
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Till Crueger |
Removed the DistanceToPlane method in the Vector class in favor of a …
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Plane.hpp
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1.6 KB
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d4c9ae
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15 years
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Till Crueger |
Removed the DistanceToPlane method in the Vector class in favor of a …
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ReMapDBondFileFromXYZ.py
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5.9 KB
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f683fe
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16 years
|
neuen |
Parses a pdb and xyz file and decideds which atoms are in both and …
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Space.cpp
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317 bytes
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005e18
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15 years
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Till Crueger |
Added const correctness to plane class and simplified interface
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Space.hpp
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420 bytes
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005e18
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15 years
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Till Crueger |
Added const correctness to plane class and simplified interface
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stackclass.hpp
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8.1 KB
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a67d19
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15 years
|
FrederikHeber |
Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) …
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tesselation.cpp
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230.0 KB
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8f215d
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15 years
|
Till Crueger |
Simplified tesselation.cpp by allowing direct access to derived …
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tesselation.hpp
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15.9 KB
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8f215d
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15 years
|
Till Crueger |
Simplified tesselation.cpp by allowing direct access to derived …
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tesselationhelpers.cpp
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40.0 KB
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d4c9ae
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15 years
|
Till Crueger |
Removed the DistanceToPlane method in the Vector class in favor of a …
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tesselationhelpers.hpp
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3.8 KB
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71b20e
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15 years
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FrederikHeber |
Attempt to fix the embedding.
Basically it would be working, but …
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triangleintersectionlist.cpp
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6.1 KB
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1513a74
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15 years
|
Till Crueger |
Declared the Vector class as single point spaces
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triangleintersectionlist.hpp
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1.6 KB
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8db598
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15 years
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FrederikHeber |
New class TriangleIntersection List and (hopefully) final fix of …
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types.hpp
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412 bytes
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ead4e6
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15 years
|
Till Crueger |
Made the periodentafel use STL-containers instead of custom llists
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valence.db
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1.5 KB
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6ac7ee
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16 years
|
FrederikHeber |
Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
…
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vector.cpp
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18.7 KB
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d4c9ae
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15 years
|
Till Crueger |
Removed the DistanceToPlane method in the Vector class in favor of a …
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vector.hpp
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3.7 KB
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d4c9ae
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15 years
|
Till Crueger |
Removed the DistanceToPlane method in the Vector class in favor of a …
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vector_ops.cpp
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6.9 KB
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fa5a6a
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15 years
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Till Crueger |
Added unittests for planes
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vector_ops.hpp
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431 bytes
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0a4f7f
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15 years
|
Till Crueger |
Made data internal data-structure of vector class private
- Replaced …
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verbose.cpp
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2.5 KB
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90f680
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15 years
|
FrederikHeber |
FIX: errorLogger now has absolute verbosity (i.e. CRITIAL is whatever …
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verbose.hpp
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1.4 KB
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90f680
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15 years
|
FrederikHeber |
FIX: errorLogger now has absolute verbosity (i.e. CRITIAL is whatever …
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version.h
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98 bytes
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f34def
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15 years
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FrederikHeber |
Fixed versioning.
- FIX: version.h was falsely excluded in .gitignore …
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World.cpp
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7.0 KB
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70378e
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15 years
|
FrederikHeber |
FIX: Author of World.cpp has been wrongly set (by eclipse) to heber …
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World.hpp
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8.0 KB
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6e97e5
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15 years
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Till Crueger |
Added a generic Iterator that can be used to iterate only over certain …
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World_calculations.hpp
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595 bytes
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0e2a47
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15 years
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Till Crueger |
Added overloaded methods for all methods in the world taking an …
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