source: molecuilder/src@ 104cf4

Name Size Rev Age Author Last Change
../
unittests afbb6c0   16 years Saskia Metzler Ticket 30: Put molecuilder unit tests in their own subfolder in src
analyzer.cpp 33.5 KB ​ 5dda23   16 years FrederikHeber New/delete conversion. 82: "main" missing in msg
atom.cpp 9.7 KB ​ 104cf4   16 years FrederikHeber First half of molecule_dynamics.cpp is refactored into smaller parts. …
atom.hpp 3.7 KB ​ 104cf4   16 years FrederikHeber First half of molecule_dynamics.cpp is refactored into smaller parts. …
bond.cpp 4.1 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
bond.hpp 1.8 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
boundary.cpp 48.0 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
boundary.hpp 2.5 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
builder.cpp 92.7 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
config.cpp 89.6 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
config.hpp 3.4 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
datacreator.cpp 35.4 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
datacreator.hpp 5.0 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
defs.hpp 4.9 KB ​ 390a2b   16 years Saskia Metzler Ticket 11: use templates and/or traits to fix Malloc/ReAlloc-Free …
element.cpp 1.5 KB ​ 4dca8e   16 years FrederikHeber definitions for class element and verbose moved to their own header …
element.hpp 1.8 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
elements.db 4.4 KB ​ e08f45   17 years FrederikHeber Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull Conflicts: …
ellipsoid.cpp 16.5 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
ellipsoid.hpp 1.3 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
graph.cpp 3.7 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
graph.hpp 3.0 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
Hbondangle.db 180 bytes ​ e08f45   17 years FrederikHeber Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull Conflicts: …
Hbonddistance.db 204 bytes ​ e08f45   17 years FrederikHeber Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull Conflicts: …
helpers.cpp 5.3 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
helpers.hpp 4.0 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
joiner.cpp 11.2 KB ​ 390a2b   16 years Saskia Metzler Ticket 11: use templates and/or traits to fix Malloc/ReAlloc-Free …
leastsquaremin.cpp 671 bytes ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
leastsquaremin.hpp 932 bytes ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
linkedcell.cpp 7.7 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
linkedcell.hpp 1.9 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
lists.hpp 3.7 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
Makefile.am 1.5 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
memoryallocator.hpp 3.6 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
memoryusageobserver.cpp 2.8 KB ​ 729279   16 years Saskia Metzler #22 Write a critical exit function
memoryusageobserver.hpp 1.3 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
molecule.cpp 45.6 KB ​ 3efb4a   16 years FrederikHeber Implementing templated iterators done for molecule.cpp - new …
molecule.hpp 19.2 KB ​ 104cf4   16 years FrederikHeber First half of molecule_dynamics.cpp is refactored into smaller parts. …
molecule_dynamics.cpp 41.3 KB ​ 104cf4   16 years FrederikHeber First half of molecule_dynamics.cpp is refactored into smaller parts. …
molecule_fragmentation.cpp 77.7 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
molecule_geometry.cpp 17.6 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
molecule_graph.cpp 55.2 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
molecule_pointcloud.cpp 1.8 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
molecule_template.hpp 14.1 KB ​ 3efb4a   16 years FrederikHeber Implementing templated iterators done for molecule.cpp - new …
moleculelist.cpp 40.0 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
orbitals.db 442 bytes ​ e08f45   17 years FrederikHeber Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull Conflicts: …
parser.cpp 45.4 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
parser.hpp 4.8 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
periodentafel.cpp 9.5 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
periodentafel.hpp 1.3 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
ReMapDBondFileFromXYZ.py 5.9 KB ​ 3e20fe   17 years neuen Parses a pdb and xyz file and decideds which atoms are in both and …
stackclass.hpp 9.3 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
tesselation.cpp 153.9 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
tesselation.hpp 10.9 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
tesselationhelpers.cpp 34.7 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
tesselationhelpers.hpp 3.1 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
valence.db 1.5 KB ​ e08f45   17 years FrederikHeber Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull Conflicts: …
vector.cpp 37.7 KB ​ 3746440   16 years FrederikHeber new function Vector::WrapPeriodically() and …
vector.hpp 3.7 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
verbose.cpp 1.8 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
verbose.hpp 1.0 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
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