Desktop and Massively Parallel version of Tadah!MLIP

This project can be compiled either as desktop or MPI version.

For developers

• use develop branch

• Make use of CMake FETCHCONTENT_SOURCE_DIR_ such that it points to the local copy of a MODULE:

  • TADAH_PATH=...
  • -DFETCHCONTENT_SOURCE_DIR_TADAH.CORE=${TADAH_PATH}/CORE
  • -DFETCHCONTENT_SOURCE_DIR_TADAH.MODELS=${TADAH_PATH}/MODELS
  • -DFETCHCONTENT_SOURCE_DIR_TADAH.MLIP=${TADAH_PATH}/MLIP
  • -DFETCHCONTENT_SOURCE_DIR_TADAH.MD=${TADAH_PATH}/MD
  • -DFETCHCONTENT_SOURCE_DIR_TADAH.HPO=${TADAH_PATH}/HPO