esp_nwchem
add test for nwchemio and fixed bugs
fixed bug in theory_spec
corrected keyword dielectric
added another template for ESP and removed RESP
Modified MITMDVaspInputSet so the MD default settings are overridden by the
user_incar_settings argument
allow encut to be specified in MITMDVaspInputSet
bugfix to MITMDVaspInputSet
Merge branch 'master' of github.com:materialsproject/pymatgen
testing hive
Merge branch 'master' of https://github.com/gmatteo/pymatgen
Merge branch 'master' of github.com:materialsproject/pymatgen
option for cosmo section
changes in job_type
fixed typo
Update units doc.
Minor reorg of docs.
Merge branch 'master' of github.com:materialsproject/pymatgen
Minor update to docs again.
Change ICHARG=0 in MITMDVaspInputSet since WAVECAR is being written