source: molecuilder/src@ eb167d

Name Size Rev Age Author Last Change
../
analyzer.cpp 33.5 KB ​ a048fa   16 years FrederikHeber fixed indentation from tabs to two spaces.
atom.cpp 3.3 KB ​ 834ff3   16 years FrederikHeber Huge refactoring of Tesselation routines, but not finished yet. - new …
atom.hpp 2.3 KB ​ 4dca8e   16 years FrederikHeber definitions for class element and verbose moved to their own header …
bond.cpp 4.0 KB ​ eb167d   16 years FrederikHeber Some minor fixes with regards to what needs to be included where and …
bond.hpp 1.5 KB ​ eb167d   16 years FrederikHeber Some minor fixes with regards to what needs to be included where and …
boundary.cpp 44.4 KB ​ eb167d   16 years FrederikHeber Some minor fixes with regards to what needs to be included where and …
boundary.hpp 1.9 KB ​ eb167d   16 years FrederikHeber Some minor fixes with regards to what needs to be included where and …
builder.cpp 85.6 KB ​ 834ff3   16 years FrederikHeber Huge refactoring of Tesselation routines, but not finished yet. - new …
config.cpp 90.6 KB ​ e78824   16 years FrederikHeber class config definitions moved to their own header file. NOTE: …
config.hpp 2.9 KB ​ eb167d   16 years FrederikHeber Some minor fixes with regards to what needs to be included where and …
datacreator.cpp 35.2 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 …
defs.hpp 4.9 KB ​ a048fa   16 years FrederikHeber fixed indentation from tabs to two spaces.
element.cpp 1.5 KB ​ 4dca8e   16 years FrederikHeber definitions for class element and verbose moved to their own header …
element.hpp 1.7 KB ​ 4dca8e   16 years FrederikHeber definitions for class element and verbose moved to their own header …
elements.db 4.4 KB ​ e08f45   17 years FrederikHeber Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull Conflicts: …
ellipsoid.cpp 16.4 KB ​ 834ff3   16 years FrederikHeber Huge refactoring of Tesselation routines, but not finished yet. - new …
ellipsoid.hpp 958 bytes ​ 834ff3   16 years FrederikHeber Huge refactoring of Tesselation routines, but not finished yet. - new …
graph.cpp 883 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 …
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 5.6 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 …
joiner.cpp 11.2 KB ​ a048fa   16 years FrederikHeber fixed indentation from tabs to two spaces.
linkedcell.cpp 4.7 KB ​ eb167d   16 years FrederikHeber Some minor fixes with regards to what needs to be included where and …
linkedcell.hpp 1.4 KB ​ 834ff3   16 years FrederikHeber Huge refactoring of Tesselation routines, but not finished yet. - new …
Makefile.am 1.0 KB ​ 4dca8e   16 years FrederikHeber definitions for class element and verbose moved to their own header …
moleculelist.cpp 38.8 KB ​ e78824   16 years FrederikHeber class config definitions moved to their own header file. NOTE: …
molecules.cpp 247.9 KB ​ e78824   16 years FrederikHeber class config definitions moved to their own header file. NOTE: …
molecules.hpp 13.8 KB ​ eb167d   16 years FrederikHeber Some minor fixes with regards to what needs to be included where and …
orbitals.db 442 bytes ​ e08f45   17 years FrederikHeber Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull Conflicts: …
parser.cpp 47.2 KB ​ a048fa   16 years FrederikHeber fixed indentation from tabs to two spaces.
parser.hpp 4.5 KB ​ a048fa   16 years FrederikHeber fixed indentation from tabs to two spaces.
periodentafel.cpp 9.4 KB ​ 4dca8e   16 years FrederikHeber definitions for class element and verbose moved to their own header …
periodentafel.hpp 1.1 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 …
stackclass.hpp 9.0 KB ​ 4dca8e   16 years FrederikHeber definitions for class element and verbose moved to their own header …
TAGS 13.1 KB ​ e0c5b1   17 years neuen Multiple changes to boundary, currently not fully operational. …
tesselation.cpp 85.2 KB ​ 834ff3   16 years FrederikHeber Huge refactoring of Tesselation routines, but not finished yet. - new …
tesselation.hpp 7.9 KB ​ 834ff3   16 years FrederikHeber Huge refactoring of Tesselation routines, but not finished yet. - new …
tesselationhelpers.cpp 13.6 KB ​ 834ff3   16 years FrederikHeber Huge refactoring of Tesselation routines, but not finished yet. - new …
tesselationhelpers.hpp 1.5 KB ​ 834ff3   16 years FrederikHeber Huge refactoring of Tesselation routines, but not finished yet. - new …
valence.db 1.5 KB ​ e08f45   17 years FrederikHeber Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull Conflicts: …
vector.cpp 31.6 KB ​ eb167d   16 years FrederikHeber Some minor fixes with regards to what needs to be included where and …
vector.hpp 2.5 KB ​ 834ff3   16 years FrederikHeber Huge refactoring of Tesselation routines, but not finished yet. - new …
verbose.cpp 1.7 KB ​ a048fa   16 years FrederikHeber fixed indentation from tabs to two spaces.
verbose.hpp 824 bytes ​ 4dca8e   16 years FrederikHeber definitions for class element and verbose moved to their own header …
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