Feb 14, 2018 R1 Public Release

New public release with:

• This adds code for the analytical gradient for EFMO.
  • It is turned on with the IEFMOG flag in $FMO in the input file (see INPUT.DOC).
  • Described in C. Bertoni and M. S. Gordon, "Analytic Gradients for the Effective Molecular Orbital Method" Journal of Chemical Theory and Computation 12 (10), 4743-4767 (2016).
• New target cray-xc added.
  • GMS_PHI flag in install.info changed from true|false to none|knl|knc

Along with a few minor fixes:

• Modifications to comp, lked and config (#51)(#50):
  • Removed flags EFP_OPENMP, MAKEFP_OPENMP and RIMP2_OPENMP from install.info
  • Threaded codes are now controlled by the flag GMS_OPENMP in install.info