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Add functionality in mp/mps/mpo and add ExpDVR basis #155

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@jjren jjren commented Aug 5, 2023

  1. support the addition of many mpos/mpss together.
    mps.add([mps1, mps2,....])
  2. convertion between diagonal mpo and mps.
    Mpo.from_mps() Mps.from_mpo()
  3. ExpDVR basis
  4. add shift algorithm for excited states calculation ($H=H_0 + \sum_i \alpha_i |\psi_i><\psi_i|$).

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codecov bot commented Aug 5, 2023

Codecov Report

Patch coverage: 66.66% and project coverage change: -0.50% ⚠️

Comparison is base (9583324) 84.79% compared to head (2236e71) 84.30%.
Report is 1 commits behind head on master.

❗ Current head 2236e71 differs from pull request most recent head d49fdae. Consider uploading reports for the commit d49fdae to get more accurate results

Additional details and impacted files
@@            Coverage Diff             @@
##           master     #155      +/-   ##
==========================================
- Coverage   84.79%   84.30%   -0.50%     
==========================================
  Files         105      105              
  Lines       10183    10355     +172     
==========================================
+ Hits         8635     8730      +95     
- Misses       1548     1625      +77     
Files Changed Coverage Δ
renormalizer/mps/mps.py 89.21% <27.58%> (-1.31%) ⬇️
renormalizer/model/basis.py 80.81% <40.19%> (-7.96%) ⬇️
renormalizer/mps/mpo.py 90.56% <84.61%> (-0.60%) ⬇️
renormalizer/mps/mp.py 85.16% <95.00%> (+0.40%) ⬆️
renormalizer/mps/gs.py 96.42% <100.00%> (+0.49%) ⬆️
renormalizer/mps/mpdm.py 88.46% <100.00%> (-1.65%) ⬇️
renormalizer/mps/tests/test_gs.py 100.00% <100.00%> (ø)

... and 3 files with indirect coverage changes

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Looks good to me : )

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liwt31 commented Aug 7, 2023

The test coverage is too low currently - it seems easy to add a few tests for these new functions

@jjren jjren changed the title Add functionality in mp/mps/mpo Add functionality in mp/mps/mpo and add ExpDVR basis Aug 10, 2023
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jjren commented Aug 10, 2023

I will add doc and tests later.

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jjren commented Sep 17, 2023

I close the PR now and will open it again when the new features for nuclear dynamics are ready.

@jjren jjren closed this Sep 17, 2023
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4 participants