source: molecuilder/src/molecule_dynamics.cpp

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Diff Rev Age Author Log Message
(edit) @dc5413   15 years Till Crueger Merge branch 'FreddiesRefactoring' into StructureRefactoring …
(edit) @98a2987   15 years Till Crueger Added -Wall flag and fixed several small hickups
(edit) @81c129   15 years FrederikHeber FIX: Values in FindNonConvexBorder() and …
(edit) @8d9d38   15 years Till Crueger Made the world solely responsible for creating and erasing molecules.
(edit) @00b5802   16 years FrederikHeber BUGFIX - molecule::MinimiseConstrainedPotential() OldPotential was …
(edit) @3d4969   16 years FrederikHeber Fixing ticket #18. - each eLog() << Verbose(0) is now followed by …
(edit) @418117a   16 years FrederikHeber Verbosity corrected for ERROR and WARNING - present ERROR and WARNING …
(edit) @543ce4   16 years FrederikHeber Huge change from ofstream * (const) out --> Log(). - first shift was …
(edit) @8bc524   16 years FrederikHeber Several memory bugfixes (thx valgrind). - main() - shortened case …
(edit) @7c2f6b   16 years FrederikHeber Complete refactoring of molecule_dynamics.cpp - new small functions: …
(edit) @104cf4   16 years FrederikHeber First half of molecule_dynamics.cpp is refactored into smaller parts. …
(edit) @17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
(edit) @567b7f   16 years FrederikHeber In molecule::OutputTrajectories() ActOnAllAtoms() with new function …
(add) @f92d00   16 years FrederikHeber class molecule implementation split up into six separate parts. - …
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