edoapra

NWChem is an ab initio computational chemistry software

arm64 dev

amd64 dev

Small NWChem image for Raspberry Pi2

This image contains the gaussian DFT module of the NWChem software using the MPI-PR ARMCI_NETWORK

This image contains only the gaussian DFT module of the NWChem computational chemistry software

NWChem 6.8.1 small docker image to run on NERSC edison with ARMCI_NETWORK=MPI-PR

NWChem dev build with limited functionality (DFT) for NERSC's shifter