Binary package “nwchem-data” in ubuntu bionic
High-performance computational chemistry software (data files)
NWChem is a computational chemistry program package. It provides methods
which are scalable both in their ability to treat large scientific
computational chemistry problems efficiently, and in their use of available
parallel computing resources from high-performance parallel supercomputers to
conventional workstation clusters.
.
This package contains the basis sets, pseudopotentials and AMBER/CHARMM
parameter files.
Source package
Published versions
- nwchem-data 6.6+r27746-4build1 in amd64 (Release)
- nwchem-data 6.6+r27746-4build1 in arm64 (Release)
- nwchem-data 6.6+r27746-4build1 in armhf (Release)
- nwchem-data 6.6+r27746-4build1 in i386 (Release)
- nwchem-data 6.6+r27746-4build1 in ppc64el (Release)
- nwchem-data 6.6+r27746-4build1 in s390x (Release)
