Code

Debug/energy#30

Code

Merged

uuudown merged 35 commits intomainpnnl/NWQ-Sim:mainfrom debug/energypnnl/NWQ-Sim:debug/energyCopy head branch name to clipboardDec 13, 2024

+12,165-730

Commits

Commits on Sep 11, 2024

• Debugging energy calculation

  mxburns2022

  committed
  1e084ee

• Fixed amplitude input issue

  mxburns2022

  committed
  dd52f86

Commits on Sep 27, 2024

• debugging, removed extraneous terms

  mxburns2022

  committed
  ddeee8f

• Fixed input amplitude I/O, added example problems

  mxburns2022

  committed
  ee6cb00

Commits on Oct 8, 2024

• no symmetries

  mxburns2022

  committed
  72ee6e8

Commits on Oct 18, 2024

• Make default value match with help in main.cpp

  Firepanda415

  committed
  72eb4b0

• Much clearer callback and result summary

  Firepanda415

  committed
  8d24710

• More result summary information

  Firepanda415

  committed
  9619834

Commits on Oct 22, 2024

• finialize printout for UCCSD

  Firepanda415

  committed
  cd5935a

• Backup file for UCCSD without symmetry, for comparing with the symmetric one in the future

  Firepanda415

  committed
  f6560f3

Commits on Oct 23, 2024

• cleaning uccsd

  mxburns2022

  committed
  5f3f38f

• Added symm flag

  mxburns2022

  committed
  68109eb

• Added one extra level to symmetries

  mxburns2022

  committed
  9bd8a57

Commits on Oct 24, 2024

• Symm=4 working

  mxburns2022

  committed
  151ed41

• Recreate Qiskit's scheme for UCCSD in NWQSim

  Firepanda415

  committed
  f842566

Commits on Oct 25, 2024

• Fixed the calculation on number of alpha-alpha and beta-beta doubles

  Firepanda415

  committed
  c5a46ee

• Forgot to remove 2* on n_doubles after my previous fix

  Firepanda415

  committed
  c9eecf8

Commits on Oct 27, 2024

• more informative printouts

  Firepanda415

  committed
  be22bfb

Commits on Oct 28, 2024

• not needed since we have symm 0

  Firepanda415

  committed
  0339bbb

Commits on Oct 29, 2024

• Add full symmetries

  Firepanda415

  committed
  26b4cea

Commits on Nov 4, 2024

• Add option for using qiskit-like ansatz

  Firepanda415

  committed
  5211188

Commits on Nov 6, 2024

• clearly a mistake in the past

  Firepanda415

  committed
  3df0476

Commits on Dec 2, 2024

• Apply fixes on the symmetries for UCCSD ansatz in VQE and Adapt-VQE. (uccsd.cpp and uccsdqis.cpp should gives the same results in the highest level of symmetries, i..e, symm 4 for uccsd, symm 2 for…

  Show description for 04bf242
  Firepanda415

  committed
  04bf242

Commits on Dec 5, 2024

• change uccsdqis to uccsdmin, and make it the default UCCSD. Matt's UCCSD can be enabled with "--origin" flag. The symmetry in Matt's UCCSD was fixed in the previous commit. SInglet GSD is needs fur…

  Show description for a1b0d3a
  Firepanda415

  committed
  a1b0d3a

Commits on Dec 6, 2024

• Add documents and Singlet GSD is working. This ones gives better approximation than UCCSD

  Firepanda415

  committed
  15109a3

• quick correction on DUCC qubit indexing and singlet gsd

  Firepanda415

  committed
  0654e72

• finish singlet gsd on adapt-vqe

  Firepanda415

  committed
  a3dcf82

• Fix doc and finalize some formats

  Firepanda415

  committed
  c8aac59

Commits on Dec 9, 2024

• slight adjustment on ADAPT-VQE

  Firepanda415

  committed
  8367a08

Commits on Dec 10, 2024

• clear up ansates

  Firepanda415

  committed
  a496866

• fix for prev. commit and bounds for optimizer under mpi

  Firepanda415

  committed
  ce70c66

Commits on Dec 11, 2024

• fix mistake on the previous day on ansatz and pool, unify qflow.cpp and main.cpp command line argument, both defaults to xacc

  Firepanda415

  committed
  3ae87e8

• update docs

  Firepanda415

  committed
  57d352c

• Merge branch 'main' into debug/energy

  Firepanda415

  authored
  6b288fe

• adjustments to main branch changes

  Firepanda415

  committed
  6b6b532