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Commits on Oct 12, 2018
  1. Merge pull request #299 from m-a-d-n-e-s-s/TDHF-Cleanup

    fbischoff committed Oct 12, 2018
    TDHF Cleanup
Commits on Oct 11, 2018
  1. Merge branch 'TDHF-Cleanup' of https://github.com/m-a-d-n-e-s-s/madness

    Jakob Kottmann
    Jakob Kottmann committed Oct 11, 2018
    … into TDHF-Cleanup
Commits on Oct 9, 2018
  1. Merge branch 'master' into TDHF-Cleanup

    kottmanj committed Oct 9, 2018
  2. linux cluster seems to be case sensitive

    Jakob Kottmann
    Jakob Kottmann committed Oct 9, 2018
  3. Merge pull request #301 from m-a-d-n-e-s-s/pullreq-fix-travis-add-gen…

    fbischoff committed Oct 9, 2018
    …tensor
    
    Pullreq fix travis add gentensor
Commits on Oct 8, 2018
  1. update

    Florian Bischoff
    Florian Bischoff committed Oct 8, 2018
  2. Refactoring classnames

    Jakob Kottmann
    Jakob Kottmann committed Oct 8, 2018
  3. xyz structure was obsolete

    Jakob Kottmann
    Jakob Kottmann committed Oct 8, 2018
  4. fixed travis ci, added gentensor tests to travis matrix

    Florian Bischoff
    Florian Bischoff committed Oct 8, 2018
  5. namespace for functions in GuessFactory.h

    Jakob Kottmann
    Jakob Kottmann committed Oct 8, 2018
  6. Merge pull request #300 from m-a-d-n-e-s-s/pullreq-fix-tensortest-wit…

    fbischoff committed Oct 8, 2018
    …h-mkl
    
    fixed broken tensor tests if MKL is set: in mxm.h cblas:gemm is calle…
  7. both boolean formats accepted

    Jakob Kottmann
    Jakob Kottmann committed Oct 8, 2018
  8. accept "true" and "false" for booleans in TDHF::Parameters::read_from…

    Jakob Kottmann
    Jakob Kottmann committed Oct 8, 2018
    …_file; renamed guess_virtuals
  9. struct to class

    Jakob Kottmann
    Jakob Kottmann committed Oct 8, 2018
  10. refactoring vecfuncT to vector_real_function_3d to avoid confusion wi…

    Jakob Kottmann
    Jakob Kottmann committed Oct 8, 2018
    …th templated functions
  11. autotools: included GuessFactory in Makefile.am

    Jakob Kottmann
    Jakob Kottmann committed Oct 8, 2018
Commits on Oct 5, 2018
  1. should be double

    Jakob Kottmann
    Jakob Kottmann committed Oct 5, 2018
  2. test_gentensor requires linear algebra

    Florian Bischoff
    Florian Bischoff committed Oct 5, 2018
  3. fixed broken tensor tests if MKL is set: in mxm.h cblas:gemm is calle…

    Florian Bischoff
    Florian Bischoff committed Oct 5, 2018
    …d if HAVE_INTEL_MKL is set, linking fails if LAPACK_LIBRARIES is not linked to MADtensor
Commits on Oct 4, 2018
  1. fixed conflict resulting from sloppy merging, moved inline functions …

    Jakob Kottmann
    Jakob Kottmann committed Oct 4, 2018
    …from Guessfactory.h to .cc
  2. Merge branch 'master' into TDHF-cleanup

    kottmanj committed Oct 4, 2018
  3. cleanup, new messenger, adapted defaults

    Jakob Kottmann
    Jakob Kottmann committed Oct 4, 2018
Commits on Oct 2, 2018
  1. converged roots are replaced during iteration

    Jakob Kottmann
    Jakob Kottmann committed Oct 2, 2018
Commits on Sep 28, 2018
  1. Merge pull request #297 from m-a-d-n-e-s-s/pullreq-mkl-fix

    fbischoff committed Sep 28, 2018
    Pullreq mkl fix
  2. Fixed MKL bug by including scgemm into mxm.h

    Jakob Kottmann
    Jakob Kottmann committed Sep 28, 2018
  3. Fixed MKL bug by including scgemm into mxm.h

    Jakob Kottmann
    Jakob Kottmann committed Sep 28, 2018
  4. added simple fix to avoid the compiling problem with MKL

    Jakob Kottmann
    Jakob Kottmann committed Sep 28, 2018
  5. added guess factory for external usage of tdhf guesses

    Jakob Kottmann
    Jakob Kottmann committed Sep 28, 2018
Commits on Sep 27, 2018
  1. Merge pull request #296 from m-a-d-n-e-s-s/pullreq-orthonormalization…

    fbischoff committed Sep 27, 2018
    …-routines
    
    Orthonormalization Routines
Commits on Sep 26, 2018
  1. corrected indentation

    Jakob Kottmann
    Jakob Kottmann committed Sep 26, 2018
  2. Added orthonormalization routines and append function to vmra.h | add…

    Jakob Kottmann
    Jakob Kottmann committed Sep 26, 2018
    …ed cholesky and rr_cholesky for all types to lapack
  3. improved guess, added recanonicalziation

    Jakob Kottmann
    Jakob Kottmann committed Sep 26, 2018
  4. Added orthonormalization routines and append function to vmra.h | add…

    Jakob Kottmann
    Jakob Kottmann committed Sep 26, 2018
    …ed cholesky and rr_cholesky for all types to lapack
Commits on Sep 11, 2018
  1. Merge pull request #288 from m-a-d-n-e-s-s/pullreq-nemofix

    fbischoff committed Sep 11, 2018
    Fixed wrong behaviour for no_compute option
  2. Merge branch 'master' into pullreq-nemofix

    Florian Bischoff
    Florian Bischoff committed Sep 11, 2018