rtp: Add option for orthonormal basis

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14206 bac0169d-1eea-4375-b5f6-f89d2ced9994
  change to  choice of eigensolver 



git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14207 bac0169d-1eea-4375-b5f6-f89d2ced9994
rtp: split regtest directory

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14208 bac0169d-1eea-4375-b5f6-f89d2ced9994
TMC: loop control variable issue fixed in send_analysis_task


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14209 bac0169d-1eea-4375-b5f6-f89d2ced9994
reset the tmc analysis regtest for g(r) calculation due to the
correction of its normalization


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14210 bac0169d-1eea-4375-b5f6-f89d2ced9994
Kpoints: add functionality (complex diagonalization), one regtest


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14211 bac0169d-1eea-4375-b5f6-f89d2ced9994
Remove unused variables


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14212 bac0169d-1eea-4375-b5f6-f89d2ced9994
cp2k_shell: Allow setting the output-file

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14213 bac0169d-1eea-4375-b5f6-f89d2ced9994
prettify

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14214 bac0169d-1eea-4375-b5f6-f89d2ced9994
rtp: Bugfix orthonormal emd

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14215 bac0169d-1eea-4375-b5f6-f89d2ced9994
CP2K is now completely 'doxified' - please try to keep it that way!


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14216 bac0169d-1eea-4375-b5f6-f89d2ced9994
Kpoints: correct context to be used in blacs routines


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14217 bac0169d-1eea-4375-b5f6-f89d2ced9994
Input of DFTB3 parameters


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14218 bac0169d-1eea-4375-b5f6-f89d2ced9994
Add missing test types


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14219 bac0169d-1eea-4375-b5f6-f89d2ced9994
cp2k_shell: Add commands GET_CELL, SET_CELL, and GET_STRESS

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14220 bac0169d-1eea-4375-b5f6-f89d2ced9994
fix comment headers

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14221 bac0169d-1eea-4375-b5f6-f89d2ced9994
XC_FUNCTIONAL: Add alias LDA -> PADE

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14222 bac0169d-1eea-4375-b5f6-f89d2ced9994
Fix too long line

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14223 bac0169d-1eea-4375-b5f6-f89d2ced9994
cp2k_shell: Add EXIT command

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14224 bac0169d-1eea-4375-b5f6-f89d2ced9994
rtp: reduce numerical noise

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14225 bac0169d-1eea-4375-b5f6-f89d2ced9994