|
../
|
|
verbose.hpp
|
824 bytes
|
4dca8e
|
16 years
|
FrederikHeber |
definitions for class element and verbose moved to their own header …
|
|
verbose.cpp
|
1.7 KB
|
a048fa
|
16 years
|
FrederikHeber |
fixed indentation from tabs to two spaces.
|
|
vectorunittest.hpp
|
1.2 KB
|
6c09a4
|
16 years
|
FrederikHeber |
VectorUnitTest extended to Projections and Line intersection, some …
|
|
vectorunittest.cpp
|
8.3 KB
|
6c09a4
|
16 years
|
FrederikHeber |
VectorUnitTest extended to Projections and Line intersection, some …
|
|
vector.hpp
|
3.3 KB
|
6c09a4
|
16 years
|
FrederikHeber |
VectorUnitTest extended to Projections and Line intersection, some …
|
|
vector.cpp
|
36.1 KB
|
6c09a4
|
16 years
|
FrederikHeber |
VectorUnitTest extended to Projections and Line intersection, some …
|
|
valence.db
|
1.5 KB
|
e08f45
|
17 years
|
FrederikHeber |
Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
…
|
|
tesselationunittest.hpp
|
883 bytes
|
f2dfc5
|
16 years
|
FrederikHeber |
Added Tesselation unit test
- new file tesselationunittest with …
|
|
tesselationunittest.cpp
|
7.7 KB
|
f2dfc5
|
16 years
|
FrederikHeber |
Added Tesselation unit test
- new file tesselationunittest with …
|
|
tesselationhelpers.hpp
|
1.3 KB
|
48cd93
|
16 years
|
Saskia Metzler |
Ticket 14: Rename .._.. functions in boundary.cpp
|
|
tesselationhelpers.cpp
|
13.6 KB
|
66ce7a
|
16 years
|
FrederikHeber |
Replaced Vector::Projection() by Vector::ScalarProduct()
- Projection …
|
|
tesselation.hpp
|
10.6 KB
|
b73929
|
16 years
|
FrederikHeber |
FIX: Tesselation::RemovePointFromTesselatedSurface() is working …
|
|
tesselation.cpp
|
143.4 KB
|
b73929
|
16 years
|
FrederikHeber |
FIX: Tesselation::RemovePointFromTesselatedSurface() is working …
|
|
stackclass.hpp
|
9.0 KB
|
4dca8e
|
16 years
|
FrederikHeber |
definitions for class element and verbose moved to their own header …
|
|
ReMapDBondFileFromXYZ.py
|
5.9 KB
|
3e20fe
|
17 years
|
neuen |
Parses a pdb and xyz file and decideds which atoms are in both and …
|
|
periodentafel.hpp
|
1.1 KB
|
4dca8e
|
16 years
|
FrederikHeber |
definitions for class element and verbose moved to their own header …
|
|
periodentafel.cpp
|
9.4 KB
|
4dca8e
|
16 years
|
FrederikHeber |
definitions for class element and verbose moved to their own header …
|
|
parser.hpp
|
4.5 KB
|
a048fa
|
16 years
|
FrederikHeber |
fixed indentation from tabs to two spaces.
|
|
parser.cpp
|
47.2 KB
|
a048fa
|
16 years
|
FrederikHeber |
fixed indentation from tabs to two spaces.
|
|
orbitals.db
|
442 bytes
|
e08f45
|
17 years
|
FrederikHeber |
Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
…
|
|
molecules.hpp
|
13.0 KB
|
da84d6
|
16 years
|
FrederikHeber |
Incorporation of Unit test on class Vector.
- new file …
|
|
molecules.cpp
|
248.0 KB
|
5f4960
|
16 years
|
FrederikHeber |
formula typo in molecule::PrincipalAxisSystem() fixed
|
|
moleculelist.cpp
|
38.8 KB
|
e78824
|
16 years
|
FrederikHeber |
class config definitions moved to their own header file.
NOTE: …
|
|
Makefile.am
|
1.8 KB
|
f2dfc5
|
16 years
|
FrederikHeber |
Added Tesselation unit test
- new file tesselationunittest with …
|
|
linkedcell.hpp
|
1.5 KB
|
a87d5e6
|
16 years
|
Saskia Metzler |
new function LinkedCell::GetNeighbourBounds()
- …
|
|
linkedcell.cpp
|
5.4 KB
|
ef5521
|
16 years
|
FrederikHeber |
BUGFIX: PointCloud implementation in molecule stopped one before last, …
|
|
leastsquaremin.hpp
|
533 bytes
|
da84d6
|
16 years
|
FrederikHeber |
Incorporation of Unit test on class Vector.
- new file …
|
|
leastsquaremin.cpp
|
628 bytes
|
da84d6
|
16 years
|
FrederikHeber |
Incorporation of Unit test on class Vector.
- new file …
|
|
joiner.cpp
|
11.2 KB
|
a048fa
|
16 years
|
FrederikHeber |
fixed indentation from tabs to two spaces.
|
|
helpers.hpp
|
7.6 KB
|
eb167d
|
16 years
|
FrederikHeber |
Some minor fixes with regards to what needs to be included where and …
|
|
helpers.cpp
|
5.6 KB
|
a048fa
|
16 years
|
FrederikHeber |
fixed indentation from tabs to two spaces.
|
|
Hbonddistance.db
|
204 bytes
|
e08f45
|
17 years
|
FrederikHeber |
Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
…
|
|
Hbondangle.db
|
180 bytes
|
e08f45
|
17 years
|
FrederikHeber |
Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
…
|
|
graph.hpp
|
1.5 KB
|
650212
|
17 years
|
FrederikHeber |
Begin of implementing classes Graph, SubGraph, Node and Edge.
So far …
|
|
graph.cpp
|
883 bytes
|
e08f45
|
17 years
|
FrederikHeber |
Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
…
|
|
ellipsoid.hpp
|
958 bytes
|
834ff3
|
16 years
|
FrederikHeber |
Huge refactoring of Tesselation routines, but not finished yet.
- new …
|
|
ellipsoid.cpp
|
16.4 KB
|
834ff3
|
16 years
|
FrederikHeber |
Huge refactoring of Tesselation routines, but not finished yet.
- new …
|
|
elements.db
|
4.4 KB
|
e08f45
|
17 years
|
FrederikHeber |
Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
…
|
|
element.hpp
|
1.7 KB
|
4dca8e
|
16 years
|
FrederikHeber |
definitions for class element and verbose moved to their own header …
|
|
element.cpp
|
1.5 KB
|
4dca8e
|
16 years
|
FrederikHeber |
definitions for class element and verbose moved to their own header …
|
|
defs.hpp
|
4.9 KB
|
a048fa
|
16 years
|
FrederikHeber |
fixed indentation from tabs to two spaces.
|
|
datacreator.hpp
|
4.9 KB
|
c12297
|
16 years
|
FrederikHeber |
fixed compiler warning: deprecated conversion from string const to …
|
|
datacreator.cpp
|
35.2 KB
|
a048fa
|
16 years
|
FrederikHeber |
fixed indentation from tabs to two spaces.
|
|
config.hpp
|
3.1 KB
|
eb167d
|
16 years
|
FrederikHeber |
Some minor fixes with regards to what needs to be included where and …
|
|
config.cpp
|
90.6 KB
|
e78824
|
16 years
|
FrederikHeber |
class config definitions moved to their own header file.
NOTE: …
|
|
builder.cpp
|
89.0 KB
|
8b7e0a
|
16 years
|
FrederikHeber |
New function RemoveAllBoundaryPoints() for sequentially removing all …
|
|
boundary.hpp
|
2.2 KB
|
8b7e0a
|
16 years
|
FrederikHeber |
New function RemoveAllBoundaryPoints() for sequentially removing all …
|
|
boundary.cpp
|
59.7 KB
|
8b7e0a
|
16 years
|
FrederikHeber |
New function RemoveAllBoundaryPoints() for sequentially removing all …
|
|
bond.hpp
|
1.5 KB
|
eb167d
|
16 years
|
FrederikHeber |
Some minor fixes with regards to what needs to be included where and …
|
|
bond.cpp
|
4.0 KB
|
eb167d
|
16 years
|
FrederikHeber |
Some minor fixes with regards to what needs to be included where and …
|
|
atom.hpp
|
2.4 KB
|
e0521b
|
16 years
|
FrederikHeber |
new stream operator with just one parameter and virtual destructor
|
|
atom.cpp
|
3.4 KB
|
e0521b
|
16 years
|
FrederikHeber |
new stream operator with just one parameter and virtual destructor
|
|
analyzer.cpp
|
33.5 KB
|
a048fa
|
16 years
|
FrederikHeber |
fixed indentation from tabs to two spaces.
|
