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Analyzed 8 days ago. based on code collected 8 days ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Mar 31, 2025 — Mar 31, 2026 Showing page 1 of 83 Search / Filter on:
Merge pull request #408 from evaleev/kshitij/feature/trivial_sap	Eduard Valeyev	More...				20 days ago
Docs for q_gau to make all nuclear attraction compositions	Kshitij Surjuse	More...				20 days ago
Few more fences and fixed for `q_gau` and `op_qgau_op`	Kshitij Surjuse	More...				20 days ago
Docs and quaternion order update for `opVop`	Kshitij Surjuse	More...				21 days ago
Added `op_q_gau_op`, relativistic 1-body RKB small component version of `q_gau`. Supports `opVop`,`op(Vsap)op`, `op(erfV)op`, `op(erfcV)op`, `op(erfxV)op`, etc. with both finite and point nuclear models	Kshitij Surjuse	More...				21 days ago
`One core to rule them all!`	Kshitij Surjuse	More...				21 days ago
Store Gaussian charge data as shared/unique/null ptr depending on the charge it represents	Kshitij Surjuse	More...				21 days ago
Minor fixes and fences for sap integrals evaluation	Kshitij Surjuse	More...				22 days ago
Addressed Copilot's comments: 1. Locale — Added #ifdef _MSC_VER for "en-US" / "POSIX" in read_sap_basis_library 2. & 4. Assert → throw — Replaced assert with throw std::logic_error for non-s-type shells 3. lmax — Changed to orbital_basis.max_l() instead of LIBINT2_MAX_AM_elecpot 4. Atomic number cast — Added std::round + assert for integer charge validation 5. Division by zero — Added early return with zeroed Gm when q == 0	Kshitij Surjuse	More...				23 days ago
SAP unit test checks for lower triangle of (real-symmetric) SAP matrix	Kshitij Surjuse	More...				23 days ago
Changed data structure for SAP definition. Now stored as vector of `SAPPrimitive`	Kshitij Surjuse	More...				23 days ago
Store Z unique SAP definitions	Kshitij Surjuse	More...				23 days ago
Introduced new container `SAPAtomData` for SAP definition	Kshitij Surjuse	More...				23 days ago
`hartree-fock++` can use SAP guess and added an `argv` for user to be able to switch between SAP and SOAD guess	Kshitij Surjuse	More...				23 days ago
Docs cleanup for SAP changes	Kshitij Surjuse	More...				23 days ago
Added an option to `BasisSet` constructor to bypass coefficients renorm.	Kshitij Surjuse	More...				23 days ago
Revert SAP basis sets back to their BSE definition	Kshitij Surjuse	More...				23 days ago
Unit test for direct SAP	Kshitij Surjuse	More...				23 days ago
Can directly compute Superposition of atomic potential integrals by modifying the nuclear core intgrals.	Kshitij Surjuse	More...				23 days ago
Merge pull request #405 from johannes-menzel/jmenzel/fix-agner-vectorclass	Eduard Valeyev	More...				about 1 month ago
Pass LIBINT2_USER_DEFINED_REAL_INCLUDES to library configure stage so that int_userreal.cmake test does not fail	Johannes Menzel	More...				about 1 month ago
Merge branch 'v2.13.x'	Eduard Valeyev	More...				about 1 month ago
Merge pull request #403 from johannes-menzel/jmenzel/fix-api-prefix	Eduard Valeyev	More...				about 1 month ago
[ci] test non-null LIBINT2_API_PREFIX	Eduard Valeyev	More...				about 1 month ago
[cmake] fix LIBINT2_API_PREFIX CMake "option"	Eduard Valeyev	More...				about 1 month ago
[cmake] option_with_default can accept empty default value	Eduard Valeyev	More...				about 1 month ago
introduced Context::label_to_function_name	Eduard Valeyev	More...				about 1 month ago
Merge pull request #402 from ryanmrichard/issue401	Eduard Valeyev	More...				about 1 month ago
Clarify normalization parameter in Shell constructor	Ryan Richard	More...				about 2 months ago
API prefix is only prepended to function declarations not file names	Johannes Menzel	More...				about 2 months ago

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