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Analyzed 11 months ago. based on code collected 11 months ago.
Jan 20, 2023 — Jan 20, 2024
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Merge topic 'remove-extra-space' into master More... over 12 years ago
Add ChemJson file format
kylelutz
as Kyle Lutz
More... over 12 years ago
Remove extra blank line in atomtyper.cpp
kylelutz
as Kyle Lutz
More... over 12 years ago
Merge branch 'gitsetup' More... over 12 years ago
Added local configuration and setup of git scripts More... over 12 years ago
Merge branch 'setup' into gitsetup More... over 12 years ago
Remove redundant BOOST_ALL_NO_LIB define
kylelutz
as Kyle Lutz
More... over 12 years ago
Remove BOOST_ALL_DYN_LINK define when using MSVC
kylelutz
as Kyle Lutz
More... over 12 years ago
Use the correct ChemkitConfig.cmake file when multiple build trees exist More... over 12 years ago
setup-stage: Optionally reconfigure topic stage More... over 12 years ago
Use statically-linked Boost libraries on Windows
kylelutz
as Kyle Lutz
More... over 12 years ago
Add assignment operator for FingerprintWriter
kylelutz
as Kyle Lutz
More... over 12 years ago
Forward declare Ring and Molecule in RingTest
kylelutz
as Kyle Lutz
More... over 12 years ago
Use isdigit() instead of std::isdigit() in TxyzFileFormat
kylelutz
as Kyle Lutz
More... over 12 years ago
Rename the cube plugin to gaussian
kylelutz
as Kyle Lutz
More... over 12 years ago
Port the mopcrt and mopin file formats to the STL
kylelutz
as Kyle Lutz
More... over 12 years ago
Port the FhzFileFormat to the STL
kylelutz
as Kyle Lutz
More... over 12 years ago
Add MdcrdFileFormat class
kylelutz
as Kyle Lutz
More... over 12 years ago
Add trajectory-viewer demo
kylelutz
as Kyle Lutz
More... over 12 years ago
Change assignPartialCharges() to use scoped_ptr
kylelutz
as Kyle Lutz
More... over 12 years ago
Add documentation for assignPartialCharges()
kylelutz
as Kyle Lutz
More... over 12 years ago
Remove the Residue::setAtomType() method
kylelutz
as Kyle Lutz
More... over 12 years ago
Add AtomTyper::assignAtomTypes() method
kylelutz
as Kyle Lutz
More... over 12 years ago
Add Atom::setType() and type() methods
kylelutz
as Kyle Lutz
More... over 12 years ago
Add babel file format plugin
kylelutz
as Kyle Lutz
More... over 12 years ago
Refactor MoleculeGeometryOptimizer::step()
kylelutz
as Kyle Lutz
More... over 12 years ago
Add Integrator class
kylelutz
as Kyle Lutz
More... over 12 years ago
Add Potential class
kylelutz
as Kyle Lutz
More... over 12 years ago
Move chemkit.SubstructureSearch test to validation
kylelutz
as Kyle Lutz
More... over 12 years ago
Move chemkit.RingPerception test to validation
kylelutz
as Kyle Lutz
More... over 12 years ago