source: src/Atom@ 0477b0

AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity PythonUI_with_named_parameters StoppableMakroAction TremoloParser_IncreasedPrecision
Name Size Rev Age Author Last Change
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CopyAtoms 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
unittests 4ecb2d   8 years FrederikHeber Moved LinearAlgebra sub-package into ThirdParty folder. - needed to …
atom.cpp 9.2 KB ​ 7294dc   8 years frederik.heber FIX: Fixing the use of the trajectories that were changed to maps. - …
atom.hpp 8.3 KB ​ c0f2fc   9 years FrederikHeber atom now uses associate... and disassociatedAtomWithMolecule(). - …
atom_atominfo.cpp 18.0 KB ​ 95b64f   8 years frederik.heber Implemented missing AtomInfo::setAtStep().
atom_atominfo.hpp 10.2 KB ​ 843590   9 years FrederikHeber Adding particlename member variable to Atom(Info).
atom_bondedparticle.cpp 13.2 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
atom_bondedparticle.hpp 2.3 KB ​ c6719d   9 years FrederikHeber FIX: atom_bondedparticle signatures changed to more const versions. - …
atom_bondedparticleinfo.cpp 3.7 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
atom_bondedparticleinfo.hpp 4.4 KB ​ a1c8fa   8 years FrederikHeber FIX: BondedParticleInfo::MaxOrder and ::AdapativeOrder are now stored …
atom_graphnode.cpp 2.1 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
atom_graphnode.hpp 913 bytes ​ 6f0841   13 years FrederikHeber Shifted all modules related to atoms into own subfolder src/Atom/ - …
atom_graphnodeinfo.cpp 1.4 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
atom_graphnodeinfo.hpp 1.4 KB ​ 6f0841   13 years FrederikHeber Shifted all modules related to atoms into own subfolder src/Atom/ - …
atom_observable.cpp 1.6 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
atom_observable.hpp 1.4 KB ​ b71881   9 years FrederikHeber Added select() and unselect() functions to atom and molecule, also …
atom_particleinfo.cpp 1.9 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
atom_particleinfo.hpp 1.4 KB ​ ea0c8b   13 years FrederikHeber FIX: ParticleInfo did use ptr instead of const ref in copy cstor. - …
AtomicInfo.cpp 4.2 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
AtomicInfo.hpp 975 bytes ​ 08111a   9 years FrederikHeber FIX: Added copy cstor for AtomicInfo. - otherwise AtomicInfo is …
AtomObserver.cpp 1.7 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
AtomObserver.hpp 844 bytes ​ d4ba3f   9 years FrederikHeber Extracted common code out of Molecule/AtomObserver into …
AtomSet.hpp 6.0 KB ​ 0477b0   7 years frederik.heber Added sortByIds() to AtomSetMixin.
Makefile.am 3.4 KB ​ 214240   12 years FrederikHeber FIX: Most of the includedirs were wrongly set. - each just needs to …
TesselPoint.cpp 2.0 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
TesselPoint.hpp 1.7 KB ​ 8cc22f   10 years FrederikHeber Changed how trajectories are stored, not as vecor but as map. - …
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