nwchemorg

NWChem 7.0.1 build to use with NERSC shifter. Binary using all modules and ARMCI_NETWORK=MPI-PR

Small NWChem Docker image (just DFT modules_ of master branch using ARMCI_NETWORK=MPI-PR

NWChem 7.0.0 binary using all modules and ARMCI_NETWORK=SOCKETS

small binary with just DFT modules from the master branch

NWChem 6.8.1 binary using all modules and ARMCI_NETWORK=SOCKETS. Uses Fedora 27

Docker image for development version of NWChem