emd: fix bug in linear scaling rt_restart

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14493 bac0169d-1eea-4375-b5f6-f89d2ced9994
Initialize pointer in DFTB/QMMMM and some printing changes


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14494 bac0169d-1eea-4375-b5f6-f89d2ced9994
analyze_gfortran_ast.py: Add detection of implicitly typed subroutines

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14495 bac0169d-1eea-4375-b5f6-f89d2ced9994
changing default Kim-Gordon KE_GGA functional and marking the ones that are not producing correct results

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14496 bac0169d-1eea-4375-b5f6-f89d2ced9994
analyze_gfortran_ast.py: Detect USE statements without ONLY clause

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14497 bac0169d-1eea-4375-b5f6-f89d2ced9994
BUG FIX: DFTB/NDDO/SCPTB update Ewald PW environment
in case of a cell change (NPT ensemble).
Reset 5 (DFTB) regtests


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14498 bac0169d-1eea-4375-b5f6-f89d2ced9994
Prettify


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14499 bac0169d-1eea-4375-b5f6-f89d2ced9994
Update arch files (libxc version)


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14500 bac0169d-1eea-4375-b5f6-f89d2ced9994
Make all modules PRIVATE

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14501 bac0169d-1eea-4375-b5f6-f89d2ced9994
adding more regtests for the ke_gga's

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14502 bac0169d-1eea-4375-b5f6-f89d2ced9994
Add package plan for DBCSR

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14503 bac0169d-1eea-4375-b5f6-f89d2ced9994
adjust tol


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14504 bac0169d-1eea-4375-b5f6-f89d2ced9994
Save doxygen output to file

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14505 bac0169d-1eea-4375-b5f6-f89d2ced9994
Store also doxygen's stderr output

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14506 bac0169d-1eea-4375-b5f6-f89d2ced9994
Update Doxyfile for doxygen version 1.8.1

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14507 bac0169d-1eea-4375-b5f6-f89d2ced9994
DBCSR: Remove unused routine dbcsr_lanczos()

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14508 bac0169d-1eea-4375-b5f6-f89d2ced9994
Revert previous commit

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14509 bac0169d-1eea-4375-b5f6-f89d2ced9994
DBCSR: Remove unused routine dbcsr_lanczos(), for real now

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14510 bac0169d-1eea-4375-b5f6-f89d2ced9994
DBCSR: Create module dbcsr_lib

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14511 bac0169d-1eea-4375-b5f6-f89d2ced9994
DBCSR: Create module dbcsr_multiply_api

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14512 bac0169d-1eea-4375-b5f6-f89d2ced9994