s-dftd3 version 0.4.0

awvwgk released this 30 May 15:45

· 95 commits to main since this release

692ef02

improve meson build to allow installation of module files
refactor damping parameter constructors to work without structure_type
cleanup C API, fix header files
finish Python API
add integration for QCSchema
support CMake as build system

Assets 4