Changes and bugfixes in this update (copied from the CHANGELOG):
On behalf of the Dalton authors, Hans Jørgen Aa. Jensen.## [2016.2] (2016-07-12)
- Added and documented Basis=INTGRL option for ATOMBASIS in .mol file.
- Included Be in cc-pV5Z basis set
- More robust code for reading exponents and contraction coefficients in Dalton-type basis set files, incl. such files from EMSL
- Work-around for Intel 15 compiler I/O problem in some response calculations
- Fix for spin-orbit coupling (SOC) between S/T excited states of same symmetry (problem reported on daltonforum.org)
- Further fixes of MCSCF in **PROPERTIES for more than 255 basis functions - hopefully it is OK now for all requests.
- Fixed an error in the manual for spin-dipole (problem reported on daltonforum.org)
- Fix of open-shell Hartree-Fock occupation output (only output, not the calculation, was wrong if ROHF was followed by MCSCF)
- Fix of Douglas-Kroll post-SCF with less than 256 contracted basis functions, but more than 255 uncontracted basis functions
- Fix of an insufficient memory error for construction of 2-el. integrals in Dirac format with more than 255 basis functions
- Removed OpenACC CMake variable (currently no OpenACC directives in Dalton).