.github/workflows/build.yml

Workflow runs for .github/workflows/build.yml

• Reorganize dynamics examples and share QTAG propagation kernels

  completed successfully:
  .github/workflows/build.yml#77:Commitebe9c15pushedbyalexvakimov
  devel

  Oct 22, 202615m 56s
  More actions for workflow run 77

• Integrate QTAG with the shared dynamics engine and TBF infrastructure

  completed successfully:
  .github/workflows/build.yml#76:Commitb65469cpushedbyalexvakimov
  devel

  Oct 22, 202619m 36s
  More actions for workflow run 76

• Fix QTAG Holstein density snapshots to match the source tutorial

  completed successfully:
  .github/workflows/build.yml#75:Commitd223d08pushedbyalexvakimov
  devel

  Oct 22, 202623m 14s
  More actions for workflow run 75

• Add NumPy/PyTorch QTAG dynamics and tutorial examples

  completed successfully:
  .github/workflows/build.yml#74:Commit85cfedapushedbyalexvakimov
  devel

  Oct 21, 202622m 38s
  More actions for workflow run 74

• Merged Daeho's changes in the LDR modules

  completed successfully:
  .github/workflows/build.yml#73:Commite9a28cdpushedbyalexvakimov
  devel

  Oct 21, 202621m 58s
  More actions for workflow run 73

• Merge pull request #292 from DaehoHan/ldr_lowdin_populations

  completed successfully:
  .github/workflows/build.yml#72:Commitc475823pushedbyalexvakimov
  devel

  Oct 14, 202617m 59s
  More actions for workflow run 72

• Merge pull request #291 from DaehoHan/ldr_gridwise_alpha

  completed successfully:
  .github/workflows/build.yml#71:Commit75d0773pushedbyalexvakimov
  devel

  Oct 2, 202618m 41s
  More actions for workflow run 71

• fix(ldr_torch): correct nonorthogonal initialization and complex algebra

  completed successfully:
  .github/workflows/build.yml#70:Commit39b0c50pushedbyalexvakimov
  devel

  Oct 2, 202621m 49s
  More actions for workflow run 70

• Now Libra evaluates restricted singlet TDDFT/TDA overlaps using exact…

  completed successfully:
  .github/workflows/build.yml#69:Commit22010d3pushedbyalexvakimov
  devel

  Sep 26, 202620m 48s
  More actions for workflow run 69

• Implemented the restricted TDDFT/TDA overlap correction:

  completed successfully:
  .github/workflows/build.yml#68:Commit3ddf4a3pushedbyalexvakimov
  devel

  Sep 25, 202621m 33s
  More actions for workflow run 68

• Added option of using optimized CASSCF or HF orbitals when computing …

  completed successfully:
  .github/workflows/build.yml#67:Commita93a7bcpushedbyalexvakimov
  devel

  Sep 25, 202623m 13s
  More actions for workflow run 67

• fix(exact_torch): support complex Hermitian multistate Hamiltonians

  completed successfully:
  .github/workflows/build.yml#66:Commit67d1ec2pushedbyalexvakimov
  devel

  Sep 19, 202621m 42s
  More actions for workflow run 66

• Merged new module for hessian reading

  completed successfully:
  .github/workflows/build.yml#65:Commit69bdd16pushedbyalexvakimov
  devel

  Sep 18, 202618m 0s
  More actions for workflow run 65

• Merge pull request #287 from SomeshChandra17/add-read-hessian

  completed successfully:
  .github/workflows/build.yml#64:Commit231ff5bpushedbyalexvakimov
  devel

  Sep 1, 202618m 46s
  More actions for workflow run 64

• Fixed the total energy non-conservation in CISD by freezing only occu…

  completed successfully:
  .github/workflows/build.yml#63:Commit8ddb0c6pushedbyalexvakimov
  devel

  Aug 20, 202622m 53s
  More actions for workflow run 63

• Generalized the CISD and TDDFT implementations to use multiple spin m…

  completed successfully:
  .github/workflows/build.yml#62:Commitb08bc15pushedbyalexvakimov
  devel

  Aug 20, 202621m 25s
  More actions for workflow run 62

• Revised PySCF interface - at least for CASSCF to assemble the matrice…

  completed successfully:
  .github/workflows/build.yml#61:Commit074aee1pushedbyalexvakimov
  devel

  Aug 19, 202622m 31s
  More actions for workflow run 61

• Merged PySCF developments

  completed successfully:
  .github/workflows/build.yml#60:Commit089552bpushedbyalexvakimov
  devel

  Aug 19, 202621m 53s
  More actions for workflow run 60

• Merge pull request #286 from jieyang464/pyscf-config-refactor

  completed successfully:
  .github/workflows/build.yml#59:Commitbee8f4apushedbyalexvakimov
  devel

  Aug 18, 202621m 40s
  More actions for workflow run 59

• Added a fix for reference determinant reordering if the level shiftin…

  completed successfully:
  .github/workflows/build.yml#58:Commitbff1958pushedbyalexvakimov
  devel

  Aug 18, 202621m 43s
  More actions for workflow run 58

• Generalize excited-state interfaces for arbitrary spin multiplets

  completed successfully:
  .github/workflows/build.yml#57:Commit48c616dpushedbyalexvakimov
  devel

  Aug 17, 202622m 18s
  More actions for workflow run 57

• Refined documentation for Python and Python-exposed C++ modules of Li…

  completed successfully:
  .github/workflows/build.yml#56:Commitf98736epushedbyalexvakimov
  devel

  Aug 16, 202620m 50s
  More actions for workflow run 56

• Extended the capabilities of the wigner.py module - added the option …

  completed successfully:
  .github/workflows/build.yml#55:Commit3c1af5dpushedbyalexvakimov
  devel

  Aug 16, 202622m 4s
  More actions for workflow run 55

• Merge pull request #285 from SomeshChandra17/wigner-clean

  completed successfully:
  .github/workflows/build.yml#54:Commitf2c1ec1pushedbyalexvakimov
  devel

  Aug 16, 202619m 39s
  More actions for workflow run 54

• Verified the C++ implementation of the NPI method, added stability bu…

  completed successfully:
  .github/workflows/build.yml#53:Commit1f8bb25pushedbyalexvakimov
  devel

  Aug 16, 202616m 56s
  More actions for workflow run 53