Tags: robashaw/libecpint
Tags
Patch 3 update (#23) * Added a BUILD_BYPRODUCT to ImportPugiXML.cmake for compatibility with Ninja * Make functions of ECPIntegral const and thus calculation of ECP integrals thread-safe * Spacing * Add const to derivative functions * Fixed issue in RadialInt Type1 where the wrong start can be found depending on l * Fixed some missing consts in ecp header, and adjusted accuracies of hess_test1 and 2 * Updates to docs and readme for patch 3 of version 1 Co-authored-by: Thomas Dresselhaus <[email protected]> Co-authored-by: Robert Shaw <[email protected]>