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Branch: master
Commits on May 27, 2019
  1. AXK: Fix segfault

    fstein93 authored and alazzaro committed May 27, 2019
Commits on May 24, 2019
  1. Debug performance tests

    fstein93 authored and alazzaro committed May 24, 2019
  2. Fix Cray Compiler warnings

    fstein93 authored and alazzaro committed May 24, 2019
Commits on May 23, 2019
  1. MP2: Fix para_env_exchange

    fstein93 authored and alazzaro committed May 23, 2019
Commits on May 21, 2019
  1. Debug array2fm

    fstein93 authored and alazzaro committed May 20, 2019
  2. Use maxsize in RPA

    fstein93 authored and alazzaro committed May 20, 2019
  3. Prettify bse.F

    fstein93 authored and alazzaro committed May 20, 2019
  4. Remove hidden write statements in MP2

    fstein93 authored and alazzaro committed May 14, 2019
  5. Remove convention suppression

    fstein93 authored and alazzaro committed May 14, 2019
  6. Remove outdated comment

    fstein93 authored and alazzaro committed May 13, 2019
  7. Make pretty

    fstein93 authored and alazzaro committed May 13, 2019
  8. Remove debug code in MP2

    fstein93 authored and alazzaro committed May 13, 2019
    From the development phase there is still a lot of debug code available. I removed it because the code seems to work.
  9. Make pretty

    fstein93 authored and alazzaro committed Apr 23, 2019
  10. Debug AXK

    fstein93 authored and alazzaro committed Apr 9, 2019
  11. Move write_array to utils

    fstein93 authored and alazzaro committed Apr 8, 2019
    write_array is used in the debug code of mp2_ri_grad and mp2_ri_grad_util and seperately in both modules. It was moved to prevent double coding. Hints were added if the debug code were used.
  12. Add intents, some cleanup

    fstein93 authored and alazzaro committed Apr 8, 2019
    In many routines in MP2/RPA, intents have not been provided. In few routines not all quantities have to be passed and were removed.
  13. Add AXK regtest dir to TEST_DIRS

    fstein93 authored and alazzaro committed Apr 8, 2019
    I forgot to add the regtest to the TEST_DIRS.
  14. Move and use prepare_redistribution

    fstein93 authored and alazzaro committed Apr 4, 2019
    Move the routine prepare_redistribution to a lower level and use it where it is needed.
  15. Remove get_aux_sizes in axk

    fstein93 authored and alazzaro committed Apr 4, 2019
  16. Refactor array2fm

    fstein93 authored and alazzaro committed Apr 4, 2019
    The main code of array2fm was used in create_integ_mat. Slightly changed array2fm to prevent double coding of communication routines. The group_dist_d2_type does not seem as useful as thought. It would have been finally used in only one routine. It is removed in favor of two group_dist_d1_types describing the column and row distributions.
  17. Add group_dist_d2_type, use it in rpa_ri_gpw.F

    fstein93 authored and alazzaro committed Mar 28, 2019
    Introduce the group_dist_d2_type insted of two-dimensional arrays
  18. Create group_dist_type

    fstein93 authored and alazzaro committed Mar 25, 2019
    These types shall combine the several occurring sets of start/end/size arrays describing starts, ends and sizes of groups for every process. This new data type shall reduce the number of transfered arguments in the MP2/RPA code.
  19. Remove unused variables in RPA

    fstein93 authored and alazzaro committed Mar 22, 2019
Commits on May 15, 2019
  1. Tighten the threshold of a regtest

    fstein93 authored and alazzaro committed May 15, 2019
  2. Fix warnings from Cray compiler

    fstein93 authored and alazzaro committed May 15, 2019
    We still need a fix for the warning in rpa_im_time.F.
Commits on May 14, 2019
  1. Fix Segfault in rpa_gw.F

    fstein93 authored and alazzaro committed May 14, 2019
    The segfault occurred with the arch-file CRAY-XC40-cce.popt. The segfaults with the intel compiler might still be there...
Commits on May 13, 2019
  1. Make pretty

    fstein93 authored and alazzaro committed May 12, 2019
  2. Fix Segfault in GW II

    fstein93 authored and alazzaro committed May 12, 2019
    The fix for the matrix operations is also done for the postprocessing because, here, we have the same issues.
  3. Fix Segfault in GW I

    fstein93 authored and alazzaro committed May 12, 2019
    The different used variables for the GW_matrix_operations call depending on the spin state should fix the segfault occurring when using valgrind.
  4. Remove unused variables

    fstein93 authored and alazzaro committed May 12, 2019
Commits on Apr 25, 2019
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