forgot to do this
clean up (for those who complain about the speed with -O0)
To compile with -DNDEBUG
reverting one of the changes in BTAS.

https://github.com/BTAS/BTAS/issues/67
Threading and distributing small component 1-electron integrals

For large molecules with London orbitals, small component NAI becomes a bottleneck (cost of ~3 iterations).  This should fix that.  Still need to test it on Zinc.
Friend class not needed here
Activating Gaunt interaction with London orbitals.

Needs verification, but it converges to a reasonable, gauge-invariant energy and gives the correct zero-field result.
Cannot do common origin at the moment.
Merge branch 'master' of github.com:shiozaki/BAGEL into gauge

# By Jefferson Bates (121) and others
# Via Jefferson Bates (5) and others
* 'master' of github.com:shiozaki/BAGEL: (153 commits)
  Not sure why these keep reappearing...
  commented out until #47 is solved
  further cleanup
  finished cleaning out debug code. minor update of comments
  removing debug macros. moved useful functions to zcasbfgs.cc.
  removing debug macros from superci. minor cosmetic changes and update of comments
  London tests did not pass with Libint builds. Fixed.
  minor changes
  timing measure for extrapolation
  minor. can now specify optimization of only electronic orbitals in bfgs.
  need to save the last iteration energy for bfgs
  cosmetic changes. enabling alternating BFGS optimization.
  minor
  removes some reliance on relref. fixes bug when zsuperci is run consecutively.
  jop already constructed in fci step with restricted orbitals, so update not necessary.
  added function to swap columns (or column blocks) in a matrix, preliminary timing statements for cas (should be removed later)
  stupid bug. Resolves #46. Unrelated to Jeb's problem
  minor change
  adding preliminary timing ticks. can be removed later.
  need this if DHF is instantiated after a CASSCF calculation where nocc != nele/2. all tests pass
  ...
Tabulating finite nucleus parameters
Common origin for MixedERIBatch / Gaunt interaction
Test code for Gaunt integrals w/ magnetic field
Minor test code fix

This is needed to match BAGEL's phase convention, but it would cancel out when building Coulomb and Exchange matrices.
Test cases for Dirac--Fock--Gaunt with magnetic field
minor
London integral optimization

The idea is to use the standard 1-D interpolation whenever all T values are real (when magnetic field is zero or certain basis functions are on the same center).  Seems to work well for DF methods, but for some reason this changes the energy of the non-density-fitted test case in the 8th decimal place.
Bug fix (caused by optimization)

The previous commit did not account for the fact that T values with magnetic field can occasionally be real but negative.
All London test cases now agree with their original results to at 10-11 decimal places.
same change for London NAI
Timing bug fix in London integrals

Screened integrals were assigned T values of -1.  The London quadrature code would identify this as valid and do the 2-dimensional interpolation anyway.  Now screened integrals have T = -3, which is outside the London interpolation range.
Replacing -3 with nan for integral screening
Forgot this part