DFTB HBond correction to gamma: allow for input parameter
Two new regtests added


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14191 bac0169d-1eea-4375-b5f6-f89d2ced9994
Updated README wih much more detail on regtester setup


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14192 bac0169d-1eea-4375-b5f6-f89d2ced9994
Fixed another 100 or so UNMATCHED_PARAM warnings


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14193 bac0169d-1eea-4375-b5f6-f89d2ced9994
preserve quotes in the string definition


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14194 bac0169d-1eea-4375-b5f6-f89d2ced9994
DFTB: added DFTB3 diagonal correction, two regtests;
DFTB: allows for Grimme D3 dispersion correction (c6 and c8 only), three
regtests;
NDDO: allows for Grimme D3 dispersion correction (c6 and c8 only), three
regtests;


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14195 bac0169d-1eea-4375-b5f6-f89d2ced9994
fix memory leak


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14196 bac0169d-1eea-4375-b5f6-f89d2ced9994
rtp:new regtest

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14197 bac0169d-1eea-4375-b5f6-f89d2ced9994
fix issue with uninitialied pointers (Ole Schuett)

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14198 bac0169d-1eea-4375-b5f6-f89d2ced9994
TMC ANALYSIS: including the weighted volume in the pair correlation
function calculation


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14199 bac0169d-1eea-4375-b5f6-f89d2ced9994
Explicitely initialize pointer


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14200 bac0169d-1eea-4375-b5f6-f89d2ced9994
Adjust to change in parser behaviour: Ignore leading quotes in string
when reading UFF parameter file


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14201 bac0169d-1eea-4375-b5f6-f89d2ced9994
Correct wrong initial reference of regtest


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14202 bac0169d-1eea-4375-b5f6-f89d2ced9994
rtp: improve numerics

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14203 bac0169d-1eea-4375-b5f6-f89d2ced9994
Topology: Make input parsing of MASS case insensitive

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14204 bac0169d-1eea-4375-b5f6-f89d2ced9994
Fix more UNMATCHED_PROCEDURE_ARGUMENTs


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14205 bac0169d-1eea-4375-b5f6-f89d2ced9994
savepoint
savepoint 2
It compiles \!\!\!
moved dftb stuff
moved dispersion and scptb