DFTB/QMMM: first step of implementation.
Mechanical coupling and simple non-periodic Coulomb coupling
4 new regtests


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14451 bac0169d-1eea-4375-b5f6-f89d2ced9994
pretty

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14452 bac0169d-1eea-4375-b5f6-f89d2ced9994
Fix ref-count error in pw_types

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14453 bac0169d-1eea-4375-b5f6-f89d2ced9994
Input Description Change (Tomislav Subic)

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LS+DIIS (Fredy Aquino).


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DFTB/QMMM regtest input files


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Adjust tolerances


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14457 bac0169d-1eea-4375-b5f6-f89d2ced9994
Deallocate work array (DFTB/QMMM)


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14458 bac0169d-1eea-4375-b5f6-f89d2ced9994
remove UNKNOWN_DOXYGEN_COMMENT

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Set proper test types


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Print correct charges for core-shell atoms


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Dashboard: Add timeout to report fetching

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14462 bac0169d-1eea-4375-b5f6-f89d2ced9994
Dashboard: Fix detection of missing DEFAULT(NONE)

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rtp: changing default number of MCWEENY_MAX_ITER input parameter

git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@14464 bac0169d-1eea-4375-b5f6-f89d2ced9994
rtp: forgot to reset some of the regtests

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Adjust tolerance

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Dashboard: Update URLs of PSI regtests

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Convert cp_fm_gemm() into cp_gemm()

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Add cp_fm_gemm to list of banned calls

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Dashboard: Update suppression file

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