source: molecuilder/src/molecule_dynamics.cpp

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Diff Rev Age Author Log Message
(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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