source: molecuilder/src@ 44fa6a

Name Size Rev Age Author Last Change
../
verbose.cpp 1.7 KB ​ f75030   17 years FrederikHeber Lots of for loops now count in reverse order where it does not matter, …
vector.hpp 1.8 KB ​ 725869   17 years FrederikHeber new header file for the vector class, new operators +=,*=,*,+
vector.cpp 23.1 KB ​ f75030   17 years FrederikHeber Lots of for loops now count in reverse order where it does not matter, …
valence.db 1.5 KB ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
stackclass.hpp 9.0 KB ​ f75030   17 years FrederikHeber Lots of for loops now count in reverse order where it does not matter, …
periodentafel.cpp 8.4 KB ​ c510a7   18 years FrederikHeber char lengths of 255 and MAXDUMMYSTRING replaced with define …
parser.hpp 2.8 KB ​ a6e314   17 years FrederikHeber ParseMatrix(): char * to string, Contains() hat KeySetContainer:: …
parser.cpp 24.3 KB ​ f75030   17 years FrederikHeber Lots of for loops now count in reverse order where it does not matter, …
orbitals.db 41 bytes ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
molecules.hpp 17.1 KB ​ f75030   17 years FrederikHeber Lots of for loops now count in reverse order where it does not matter, …
molecules.cpp 186.6 KB ​ f75030   17 years FrederikHeber Lots of for loops now count in reverse order where it does not matter, …
moleculelist.cpp 23.0 KB ​ f75030   17 years FrederikHeber Lots of for loops now count in reverse order where it does not matter, …
Makefile.am 1.3 KB ​ 44fa6a   17 years FrederikHeber removed specialised CFLAGS for general AM_C(PP)FLAGS that just enable …
joiner.cpp 5.3 KB ​ 33c05d   17 years FrederikHeber one lousy space added
helpers.hpp 8.2 KB ​ f75030   17 years FrederikHeber Lots of for loops now count in reverse order where it does not matter, …
helpers.cpp 5.2 KB ​ f75030   17 years FrederikHeber Lots of for loops now count in reverse order where it does not matter, …
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 2.4 KB ​ c84895   18 years FrederikHeber ENERGYPERFRAGMENT without ".dat"
datacreator.hpp 3.3 KB ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
datacreator.cpp 21.0 KB ​ f75030   17 years FrederikHeber Lots of for loops now count in reverse order where it does not matter, …
config.cpp 57.6 KB ​ f75030   17 years FrederikHeber Lots of for loops now count in reverse order where it does not matter, …
builder.cpp 48.1 KB ​ f75030   17 years FrederikHeber Lots of for loops now count in reverse order where it does not matter, …
bond.cpp 3.9 KB ​ a0bcf1   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
atom.cpp 2.6 KB ​ d50d2a   18 years FrederikHeber AtomStackClass -> template <typename T> StackClass<T> change in new …
analyzer.cpp 23.4 KB ​ f75030   17 years FrederikHeber Lots of for loops now count in reverse order where it does not matter, …
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