-------------------- * Adds MIDIX/MIDI! from Truhlar et al * BSE version, and v1 with Li from thompson2001a * Adds ANO-VT and FANO basis sets of Claudino and Bartlett * Added citations for the BSE project * Added cfour and bsedebug outputs * Sorting and unintuitive output from make_general is fixed
0.6.5
-------------------- * Major internal data reorganization * Will affect you if you use JSON basis set format * Adds more metadata (aliases, flags) for future use * Testing is cleaned up a bit * Added more basis set * Rest of v0 for 6-311G family * Rest of v1 for 6-31G family * Friendlier error messages * Enforce python3 when installing via pip * Also adds better error message when trying to run with python2
0.6.4
-------------------- * New basis sets from BSE * IGLO-II and IGLO-III * ANO-RCC (and updated version from OpenMolcas) * UGBS * Rest of Jorge family * Papajak/Truhlar 'calendar' basis sets * v0 of Ahlrichs def2 * v0 of Jensen (including (aug)-pc and (aug)-pcS) * Reorganizes dunning data files * (aug)-cc-pV(X+d)Z now applies to all elements defined by (aug)-cc-pVXZ * Adds Molpro output converter
0.6.3
-------------------- * Removes duplicate and unused data * Duplicate data def2-SVPD-RIFIT * Unused data in CRENBL, 3-21G, 6-21G, 6-31G * Adds tests for the above * Better handling of pruning basis sets * Bundles include all versions * Added dftxfit and dftcfit roles * Add dgauss basis sets from BSE
0.6.2
-------------------- * Adds functions for detecting if notes exist * Description of pople basis sets corrected * Move notes for STO and pople from old BSE