generalized choice of core occupation


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14828 bac0169d-1eea-4375-b5f6-f89d2ced9994
generalized choice of core occupation, regtests


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14829 bac0169d-1eea-4375-b5f6-f89d2ced9994
prettify

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14830 bac0169d-1eea-4375-b5f6-f89d2ced9994
Lower tolerance dramatically, regtest is very sensitive to AVX instructions.

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14831 bac0169d-1eea-4375-b5f6-f89d2ced9994
 set_mo_occupation module


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14832 bac0169d-1eea-4375-b5f6-f89d2ced9994
adjust tol


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14833 bac0169d-1eea-4375-b5f6-f89d2ced9994
adjust tol


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14834 bac0169d-1eea-4375-b5f6-f89d2ced9994
 fix uninitialized variable


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14835 bac0169d-1eea-4375-b5f6-f89d2ced9994
Merge remote-tracking branch 'upstream/master'
bug in PBEX Aux func. only normal Coulomb behoben