Merge topic 'remove-extra-space' into master |
|
More...
|
over 12 years ago
|
Add ChemJson file format |
|
More...
|
over 12 years ago
|
Remove extra blank line in atomtyper.cpp |
|
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 |
|
More...
|
over 12 years ago
|
Remove BOOST_ALL_DYN_LINK define when using MSVC |
|
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 |
|
More...
|
over 12 years ago
|
Add assignment operator for FingerprintWriter |
|
More...
|
over 12 years ago
|
Forward declare Ring and Molecule in RingTest |
|
More...
|
over 12 years ago
|
Use isdigit() instead of std::isdigit() in TxyzFileFormat |
|
More...
|
over 12 years ago
|
Rename the cube plugin to gaussian |
|
More...
|
over 12 years ago
|
Port the mopcrt and mopin file formats to the STL |
|
More...
|
over 12 years ago
|
Port the FhzFileFormat to the STL |
|
More...
|
over 12 years ago
|
Add MdcrdFileFormat class |
|
More...
|
over 12 years ago
|
Add trajectory-viewer demo |
|
More...
|
over 12 years ago
|
Change assignPartialCharges() to use scoped_ptr |
|
More...
|
over 12 years ago
|
Add documentation for assignPartialCharges() |
|
More...
|
over 12 years ago
|
Remove the Residue::setAtomType() method |
|
More...
|
over 12 years ago
|
Add AtomTyper::assignAtomTypes() method |
|
More...
|
over 12 years ago
|
Add Atom::setType() and type() methods |
|
More...
|
over 12 years ago
|
Add babel file format plugin |
|
More...
|
over 12 years ago
|
Refactor MoleculeGeometryOptimizer::step() |
|
More...
|
over 12 years ago
|
Add Integrator class |
|
More...
|
over 12 years ago
|
Add Potential class |
|
More...
|
over 12 years ago
|
Move chemkit.SubstructureSearch test to validation |
|
More...
|
over 12 years ago
|
Move chemkit.RingPerception test to validation |
|
More...
|
over 12 years ago
|