filippi-claudia / champ

The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations of atomic and molecular systems.
GNU General Public License v3.0
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Intel LLVM compiler support added #280

Closed neelravi closed 11 months ago

neelravi commented 11 months ago

CHAMP is compiled using Intel's latest LLVM-based compilers - mpiifx and mpiifc (2024.0).

Some cleanup of existing compile scripts