code changes to accomodate cosmo with open shell property calculations

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25598 85dd5168-0e29-45a6-bdf9-2122c44e486f
code changes to accomodate cosmo with open shell property calculations

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25599 85dd5168-0e29-45a6-bdf9-2122c44e486f
HvD: If the code fails on the reading the first DPLOT variable from
the RTDB then the most likely cause is that someone forgot to specify
the DPLOT input block. In that case we might just as well point that
out. So I have changed the error message to include a hint in that
direction.


git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25600 85dd5168-0e29-45a6-bdf9-2122c44e486f
added util_my_smp_master

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25601 85dd5168-0e29-45a6-bdf9-2122c44e486f
enable quadratic routines to work with cosmo

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25602 85dd5168-0e29-45a6-bdf9-2122c44e486f
updates to previous checkin

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25603 85dd5168-0e29-45a6-bdf9-2122c44e486f
unrestricted KS quadratic min calculations with cosmo

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25604 85dd5168-0e29-45a6-bdf9-2122c44e486f
EA/IP EOM

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25605 85dd5168-0e29-45a6-bdf9-2122c44e486f
HvD: Integrated the 3rd derivative code into the VWN functionals
without breaking the pre-existing capabilities.


git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25606 85dd5168-0e29-45a6-bdf9-2122c44e486f
Intel MIC changes

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25607 85dd5168-0e29-45a6-bdf9-2122c44e486f
Intel MIC: set affinity

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25608 85dd5168-0e29-45a6-bdf9-2122c44e486f
offloading headers

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25609 85dd5168-0e29-45a6-bdf9-2122c44e486f
profiling bit 

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25610 85dd5168-0e29-45a6-bdf9-2122c44e486f
extracted hashing bits for triples

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25611 85dd5168-0e29-45a6-bdf9-2122c44e486f
affinity setting for Intel MIC

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25612 85dd5168-0e29-45a6-bdf9-2122c44e486f
added Id tag

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25613 85dd5168-0e29-45a6-bdf9-2122c44e486f
offloading parts for Intel MIC

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25614 85dd5168-0e29-45a6-bdf9-2122c44e486f
added offload_master when no offlaod is in place

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25615 85dd5168-0e29-45a6-bdf9-2122c44e486f
added #ifdef EA/IPCCSD to tce_eom_xdiagon.F

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25616 85dd5168-0e29-45a6-bdf9-2122c44e486f
fix for complex response functions calculated with the aoresponse module and a damping constant


git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25617 85dd5168-0e29-45a6-bdf9-2122c44e486f