source: molecuilder/src@ 201832

Name Size Rev Age Author Last Change
../
verbose.cpp 1.7 KB ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
vector.cpp 22.3 KB ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
valence.db 1.5 KB ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
periodentafel.cpp 7.5 KB ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
parser.hpp 3.0 KB ​ 77da65   18 years FrederikHeber ADDHYDROGEN and HAVE_DEBUG fix: config.h was not yet included …
parser.cpp 23.9 KB ​ 77da65   18 years FrederikHeber ADDHYDROGEN and HAVE_DEBUG fix: config.h was not yet included …
orbitals.db 41 bytes ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
molecules.hpp 22.5 KB ​ 77da65   18 years FrederikHeber ADDHYDROGEN and HAVE_DEBUG fix: config.h was not yet included …
molecules.cpp 176.5 KB ​ e58fcb7   18 years FrederikHeber FragmentMolecule(): debug messages removed for ADDHYDROGEN
moleculelist.cpp 32.6 KB ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
Makefile.am 796 bytes ​ da83f8   18 years FrederikHeber added --enable-optimization, thrown -g -O specifics out of …
joiner.cpp 5.1 KB ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
helpers.hpp 2.5 KB ​ 77da65   18 years FrederikHeber ADDHYDROGEN and HAVE_DEBUG fix: config.h was not yet included …
helpers.cpp 5.2 KB ​ da83f8   18 years FrederikHeber added --enable-optimization, thrown -g -O specifics out of …
Hbonddistance.db 170 bytes ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
Hbondangle.db 144 bytes ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
graph.cpp 266 bytes ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
elements.db 4.4 KB ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
element.cpp 1.3 KB ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
defs.hpp 1.5 KB ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
datacreator.hpp 3.3 KB ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
datacreator.cpp 21.0 KB ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
config.cpp 56.2 KB ​ 090299   18 years FrederikHeber molecuilder reads and stored ion velocities Class atom has new …
builder.cpp 43.6 KB ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
bond.cpp 3.9 KB ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
atom.cpp 10.8 KB ​ 090299   18 years FrederikHeber molecuilder reads and stored ion velocities Class atom has new …
analyzer.cpp 23.4 KB ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
  • Property mode set to 040000
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