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108 postw90 opt fix#153

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jryates merged 56 commits intodevelopwannier-developers/wannier90:developfrom 108_POSTW90OPT_FIXwannier-developers/wannier90:108_POSTW90OPT_FIXCopy head branch name to clipboardDec 22, 2017

+880,248-1,594

Commits

Commits on Feb 24, 2017

• Added

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  Thomas Ponweiser

  committed
  b9cf970

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• joined wham_get_JJp_list and wham_get_JJm_list

  

  Thomas Ponweiser

  committed
  ff8a185

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• fixed line endings in berry.F90

  

  Thomas Ponweiser

  committed
  a2a8a34

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• improved trace formula evaluation, see ponweist/Wannier90-PRACE#1

  

  Thomas Ponweiser

  committed
  569dd8a

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• extracted runtime critical loop in get_AA_R to new subroutine; see ponweist/Wannier90-PRACE#2

  

  Thomas Ponweiser

  committed
  57098a8

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• minor simplification for get_aa_r; see ponweist/Wannier90-PRACE#2

  

  Thomas Ponweiser

  committed
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• using blas for get_gauge_overlap_matrix; see ponweist/Wannier90-PRACE#2

  

  Thomas Ponweiser

  committed
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Commits on Feb 25, 2017

• berry_get_imfgh_klist: renamed loop variable if to ife (don't like keywords as variable names)

  

  Thomas Ponweiser

  committed
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• removed berry_get_imf_k_list and made it a special case of berry_get_imfgh_klist, see also ponweist/Wannier90-PRACE#1.

  

  Thomas Ponweiser

  committed
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• improved trace formula evaluation; tbd: BLAS for matrix products; see ponweist/Wannier90-PRACE#1

  

  Thomas Ponweiser

  committed
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• utility_zgemm_new: order of parameters is now the same as in fortran95 blas interface (gemm)

  

  Thomas Ponweiser

  committed
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• berry_get_imfgh_klist: using blas, see ponweist/Wannier90-PRACE#1.

  

  Thomas Ponweiser

  committed
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Commits on Feb 27, 2017

• smarter matrix multiplications for get_imfgh_k_list; see ponweist/Wannier90-PRACE#1, ponweist/Wannier90-PRACE#4

  

  Thomas Ponweiser

  committed
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Commits on Mar 1, 2017

• utility_rotate_new: fixed order of parameters to utility_zgemm_new; fixes ponweist#2

  

  Thomas Ponweiser

  committed
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Commits on Mar 2, 2017

• improvement for get_CC_R, see ponweist/Wannier90-PRACE#3

  

  Thomas Ponweiser

  committed
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• removed superfluous call to berry_get_imf_klist when plotting curv and morb; see ponweist/Wannier90-PRACE#4

  

  Thomas Ponweiser

  committed
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• minor cleanup for kpath

  

  Thomas Ponweiser

  committed
  c73387d

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• improved get_BB_R / get_gauge_overlap_matrix; see ponweist/Wannier90-PRACE#3

  

  Thomas Ponweiser

  committed
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• improvement for get_SS_R; see ponweist/Wannier90-PRACE#7

  

  Thomas Ponweiser

  committed
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• using blas for utility_rotate_diag; see ponweist/Wannier90-PRACE#10

  

  Thomas Ponweiser

  committed
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• removed superfluous call to get_imfgh_k_list for kslice; see ponweist/Wannier90-PRACE#11

  

  Thomas Ponweiser

  committed
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Commits on Mar 6, 2017

• minor cleanup for kpath; refs ponweist/Wannier90-PRACE#5

  

  Thomas Ponweiser

  committed
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• refactoring; moved kpath point generation to new subroutine; see ponweist/Wannier90-PRACE#5

  

  Thomas Ponweiser

  committed
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• parallelized kpath; see ponweist/Wannier90-PRACE#5

  

  Thomas Ponweiser

  committed
  8e94917

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• minor cleanup for kslice; see ponweist/Wannier90-PRACE#8

  

  Thomas Ponweiser

  committed
  ed0e97e

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• brodkast kslice_fermi_lines_colour; see ponweist/Wannier90-PRACE#9 and ponweist/Wannier90-PRACE#8.

  

  Thomas Ponweiser

  committed
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Commits on Mar 7, 2017

• kslice: moved info output to subroutine

  

  Thomas Ponweiser

  committed
  d32bf2b

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• separated output from calculation loop, see ponweist/Wannier90-PRACE#8

  

  Thomas Ponweiser

  committed
  1ded81f

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• parallelized kslice; see ponweist/PRACE-Wannier90#8

  

  Thomas Ponweiser

  committed
  27b02b8

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• debugging code removal and cleanup; see ponweist/Wannier90-PRACE#8

  

  Thomas Ponweiser

  committed
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Commits on Mar 8, 2017

• now using correct loop variable for output data buffers

  

  Thomas Ponweiser

  committed
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Commits on Mar 9, 2017

• Merge branch 'berry-optimization' into full-optimization

  

  Thomas Ponweiser

  committed
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• Merge branch 'parallel-kpath' into full-optimization

  

  Thomas Ponweiser

  committed
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• Merge branch 'parallel-kslice' into full-optimization

  

  Thomas Ponweiser

  committed
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Commits on Mar 29, 2017

• Update postw90_common.F90

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  hjunlee

  authored
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Commits on Mar 30, 2017

• Merge branch '108_POSTW90OPT_FIX' into full-optimization

  jryates

  authored
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• Merge pull request #108 from ponweist/full-optimization

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  jryates

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Commits on Mar 31, 2017

• Update get_oper.F90

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  hjunlee

  authored
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• Merge branch 'develop' into develop

  hjunlee

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Commits on Apr 1, 2017

• Fixed a type conversion

  jryates

  committed
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• Merged from develop head. Update kslice and kpath for new scatterv and gatherv

  jryates

  committed
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Commits on Dec 9, 2017

• Merge remote-tracking branch 'upstream/develop' into 108_POSTW90OPT_FIX

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  jryates

  committed
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• Fix for joint calculation of AHC and Morb

  jryates

  committed
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Commits on Dec 10, 2017

• Add tests for AHC and Morb in Berry

  jryates

  committed
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• Merge pull request #126 from hjunlee/patch-1

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  jryates

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Commits on Dec 17, 2017

• Add tests for kpath curv and morb

  jryates

  committed
  43aebf5

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• Fix kslice to actually write out morb or curv data

  jryates

  committed
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• Add tests for kslice with morb and curv

  jryates

  committed
  4bd03e8

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• Merge branch '108_POSTW90OPT_FIX' of github.com:wannier-developers/wannier90 into 108_POSTW90OPT_FIX

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  jryates

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• Change tols on berry curvature to deal with very small values

  jryates

  committed
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• Merge pull request #120 from hjunlee/develop

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  jryates

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• Merge branch 'develop' into 108_POSTW90OPT_FIX

  jryates

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• add tests for kubo task for jdos and cond

  jryates

  committed
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• Merge branch '108_POSTW90OPT_FIX' of github.com:wannier-developers/wannier90 into 108_POSTW90OPT_FIX

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  jryates

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• Fix tols for kubo with small values

  jryates

  committed
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Commits on Dec 22, 2017

• Merge branch 'develop' into 108_POSTW90OPT_FIX

  giovannipizzi

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