v0.2.1-alpha

• HPC Implementations of AOs and MOs
• GPU implementation started
• Python interface : make python-install
• Interfaced with TREXIO v2

What's Changed

• Moved the Shermann-Morrison tests out of org-mode by @scemama in #53
• Fix TREXIO installation in the Verificarlo workflow by @q-posev in #55
• Bug Fix : Adjugate4 by @v1j4y in #56
• Jastrow implementation via dgemm by @v1j4y in #57
• Test QMCkl with the latest TREXIO + MacOS CI by @q-posev in #58
• qmckl_compute_asymp_jasb_f to C by @GianFree in #59
• Fixes issue with ICC by @v1j4y in #61
• Fix test for drift. by @v1j4y in #63
• Fix bug in calculation of en_distance_rescaled_deriv_e. by @v1j4y in #64
• Reorder indices in tensors for Jastrow. by @v1j4y in #62
• Fix broken build by @q-posev in #68
• Fix test-build GitHub Action by @q-posev in #67
• Add FindQMCKL module for CMake by @q-posev in #69
• Jastrow c by @GianFree in #70
• Merge in-progress work of GPU ports by @PurplePachyderm in #72
• Jastrow hpc by @GianFree in #74
• Gpu add cublas with openMp for qmckl_compute_tmp_c by @justemax in #75
• Jastrow hpc by @GianFree in #76
• Gpu by @justemax in #77
• Add python API (pyqmckl) by @q-posev in #80

New Contributors

• @q-posev made their first contribution in #55
• @GianFree made their first contribution in #59
• @justemax made their first contribution in #75

Full Changelog: v0.1.1...v0.2.1