HvD: Indentation.


git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25463 85dd5168-0e29-45a6-bdf9-2122c44e486f
HvD: Various fixes:
- Now builds with Python support if Python is available
- Intel linker insists that all libraries are present on the link line
  even ones that are required by libraries you are not calling. This
  required modifications of the BLAS and LAPACK tests.


git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25464 85dd5168-0e29-45a6-bdf9-2122c44e486f
HvD: Updated the documentation by adding information on the Python
related environment variables.


git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25465 85dd5168-0e29-45a6-bdf9-2122c44e486f
HvD: Fixed the contributors list.


git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25466 85dd5168-0e29-45a6-bdf9-2122c44e486f
HvD: Due to popular request from the Fedora RPM admins the default name
of the source code tarball has been adapted. Still need to check whether
this really conforms to what they want.


git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25467 85dd5168-0e29-45a6-bdf9-2122c44e486f
HvD: Tar will add .tar.gz there is no need for getting that twice
by naming the intermediate directory something ending in .tar.gz.


git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25468 85dd5168-0e29-45a6-bdf9-2122c44e486f
HvD: Fixed handling case on cgmin/nocgmin input.


git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25469 85dd5168-0e29-45a6-bdf9-2122c44e486f
HvD: When trying to use the MCSCF code on light atoms there may very
well not be any closed shell orbitals left. The code should be able
to handle that. In a number of places that was not handled correctly.
The changes involve skipping GA Put and Acc calls where the size of
the GA patch is zero, and increasing the dimensions of a GA to be
at least 1 in GA_Create calls. This fixed a problem that was reported
for Li2 in the triplet state with 6 active electrons.


git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25470 85dd5168-0e29-45a6-bdf9-2122c44e486f
HvD: Fixed the bug that ZORA contributions are not calculated on machines
with limited I/O capabilities.


git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25471 85dd5168-0e29-45a6-bdf9-2122c44e486f
HvD: The COSMO energy code was changed to allow for the Minnesota
solvent code. These changes involved adding variables to the 
hnd_cospar common block. These changes never made it into the 
common block in the gradient code causing the gradients to fail 
badly. This fixes that problem.


git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25472 85dd5168-0e29-45a6-bdf9-2122c44e486f
Adding hot sphere overlap difference order parameters...EJB

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25473 85dd5168-0e29-45a6-bdf9-2122c44e486f
...EJB

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25474 85dd5168-0e29-45a6-bdf9-2122c44e486f
...EJB

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25475 85dd5168-0e29-45a6-bdf9-2122c44e486f
eigen -> eigenl

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25476 85dd5168-0e29-45a6-bdf9-2122c44e486f
...EJB

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25477 85dd5168-0e29-45a6-bdf9-2122c44e486f
Fixing a bug in SDRMCF

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25478 85dd5168-0e29-45a6-bdf9-2122c44e486f
Added plain CI back into code in addition to MCSCF

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25479 85dd5168-0e29-45a6-bdf9-2122c44e486f
HvD: The lapdum argument was missing in a call to xc_rhogen causing the TDDFT
gradients to fail.


git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25480 85dd5168-0e29-45a6-bdf9-2122c44e486f
added missing lap variable to xc_rhogen call

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25481 85dd5168-0e29-45a6-bdf9-2122c44e486f
lazy bug fix for case http://www.nwchem-sw.org/index.php/Special:AWCforum/sp/id4293

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@25482 85dd5168-0e29-45a6-bdf9-2122c44e486f