|
|
|
@0d111b
|
15 years |
Till Crueger |
Merge branch 'VectorRefactoring' into StructureRefactoring
Conflicts: …
|
|
|
|
@075729
|
15 years |
FrederikHeber |
Merge branch 'Analysis_PairCorrelation' into StructureRefactoring
…
|
|
|
|
@1f2e46
|
15 years |
FrederikHeber |
Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) …
|
|
|
|
@71910a
|
15 years |
Till Crueger |
Made data internal data-structure of vector class private
- Replaced …
|
|
|
|
@12f57b
|
15 years |
FrederikHeber |
Log() and eLog() are prepended by a DoLog()/DoeLog() construct.
- …
|
|
|
|
@5738177
|
15 years |
Till Crueger |
Added a generic Iterator that can be used to iterate only over certain …
|
|
|
|
@b53a7e
|
15 years |
Till Crueger |
Added a special class of Actions that take some time.
|
|
|
|
@1ec554
|
16 years |
FrederikHeber |
Rather use parameter passing by value instead of reference.
- We …
|
|
|
|
@3dea05
|
16 years |
FrederikHeber |
Templated Min and Max functions added.
Signed-off-by: Frederik Heber …
|
|
|
|
@3d4969
|
16 years |
FrederikHeber |
Fixing ticket #18.
- each eLog() << Verbose(0) is now followed by …
|
|
|
|
@543ce4
|
16 years |
FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
|
|
|
|
@20895b
|
16 years |
FrederikHeber |
Extension to the periodic boundary case for analysis_correlation.cpp
…
|
|
|
|
@c1b4a4
|
16 years |
FrederikHeber |
"not working parsed molecule into subgraph splitting"-BUG fixed, …
|
|
|
|
@8bc524
|
16 years |
FrederikHeber |
Several memory bugfixes (thx valgrind).
- main() - shortened case …
|
|
|
|
@921097
|
16 years |
FrederikHeber |
Templated version of flip now operates with references instead of …
|
|
|
|
@543794
|
16 years |
FrederikHeber |
flip() is now templated.
Signed-off-by: Frederik Heber …
|
|
|
|
@a2db10
|
16 years |
FrederikHeber |
performCriticalExit() must not be defined static.
Note that static …
|
|
|
|
@ff9879
|
16 years |
FrederikHeber |
First half of molecule_fragmentation.cpp refactoring.
- new template …
|
|
|
|
@e71890
|
16 years |
FrederikHeber |
Merge branch 'new-delete-conversion' into CodeRefactoring
Conflicts:
…
|
|
|
|
@17b3a5c
|
16 years |
FrederikHeber |
forward declarations used to untangle interdependet classes.
- …
|
|
|
|
@53f32e
|
16 years |
Saskia Metzler |
temp commit
|
|
|
|
@8ffe32
|
16 years |
FrederikHeber |
More functions of molecule now use templated iterators.
- the …
|
|
|
|
@729279
|
16 years |
Saskia Metzler |
#22 Write a critical exit function
|
|
|
|
@390a2b
|
16 years |
Saskia Metzler |
Ticket 11: use templates and/or traits to fix Malloc/ReAlloc-Free …
|
|
|
|
@eb167d
|
16 years |
FrederikHeber |
Some minor fixes with regards to what needs to be included where and …
|
|
|
|
@4dca8e
|
16 years |
FrederikHeber |
definitions for class element and verbose moved to their own header …
|
|
|
|
@a048fa
|
16 years |
FrederikHeber |
fixed indentation from tabs to two spaces.
|
|
|
|
@e08f45
|
17 years |
FrederikHeber |
Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
…
|
|
|
|
@45105b
|
17 years |
FrederikHeber |
New function IsValidNumber(): checks whether a command line argument …
|
|
|
|
@5a78f5
|
17 years |
FrederikHeber |
BUGFIXES: CyclicStructureAnalysis() now compatible to disconnected …
|
|
|
|
@9185c8
|
17 years |
FrederikHeber |
cosmetics
|
|
|
|
@0cc323
|
17 years |
FrederikHeber |
<string.h> needed for strncat and companions for gcc-4.3.0
|
|
|
|
@f75030
|
17 years |
FrederikHeber |
Lots of for loops now count in reverse order where it does not matter, …
|
|
|
|
@c901e3
|
17 years |
FrederikHeber |
new function CreateFatherLookupTable
Creates a lookup table for true …
|
|
|
|
@d50d2a
|
17 years |
FrederikHeber |
AtomStackClass -> template <typename T> StackClass<T> change in new …
|
|
|
|
@77da65
|
17 years |
FrederikHeber |
ADDHYDROGEN and HAVE_DEBUG fix: config.h was not yet included
…
|
|
|
|
@da83f8
|
17 years |
FrederikHeber |
added --enable-optimization, thrown -g -O specifics out of …
|
|
|
|
@a0bcf1
|
17 years |
FrederikHeber |
-initial commit
-Minimum set of files needed from ESPACK SVN …
|
