add unit test for simple aimd
Merge branch 'master' of github.com:materialsproject/pymatgen
Merge branch 'master' of github.com:materialsproject/pymatgen
Modifications and bugfix in Lattice.find_mapping  Supercell matrix used
to return the inverse of the matrix specified in the documentation.
Added find_all_mappings method
refactor StructureMatcher to use Lattice.find_all_mappings
add HOMO/LUMO support
Merge remote-tracking branch 'origin/master'
fixed stupid manually created bug in example failure output file
parse BSSE
support BSSE jobtype
format to conform PEP8
change HOMO/LUMO unit to eV
VasprunET is an even faster Vasprun parsing using the cElementTree with a much
nicer API. Right now, it is optimized for structure parsing (mainly for MD). But it should be
easy to extend to other properties.
Merge branch 'master' of github.com:materialsproject/pymatgen
Super speedup of VasprunET and vast code simplfication.
VasprunET now parses INCAR and params.
added looping instead of broadcasting for large arrays in
pbc_shortest_vectors (to reduce memory usage)
Merge branch 'master' of github.com:materialsproject/pymatgen
Added atomic symbols and potcar symbols for VasprunET.
Merge branch 'master' of github.com:materialsproject/pymatgen