Binary package “nwchem-data” in ubuntu mantic
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 7.0.2-3build2 in amd64 (Release)
- nwchem-data 7.0.2-5 in amd64 (Proposed)
- nwchem-data 7.0.2-5 in amd64 (Release)
- nwchem-data 7.0.2-3build2 in arm64 (Release)
- nwchem-data 7.0.2-5 in arm64 (Proposed)
- nwchem-data 7.0.2-5 in arm64 (Release)
- nwchem-data 7.0.2-3build2 in armhf (Release)
- nwchem-data 7.0.2-5 in armhf (Proposed)
- nwchem-data 7.0.2-5 in armhf (Release)
- nwchem-data 7.0.2-3build2 in i386 (Release)
- nwchem-data 7.0.2-5 in i386 (Proposed)
- nwchem-data 7.0.2-5 in i386 (Release)
- nwchem-data 7.0.2-3build2 in ppc64el (Release)
- nwchem-data 7.0.2-5 in ppc64el (Proposed)
- nwchem-data 7.0.2-5 in ppc64el (Release)
- nwchem-data 7.0.2-3build2 in riscv64 (Release)
- nwchem-data 7.0.2-5 in riscv64 (Proposed)
- nwchem-data 7.0.2-5 in riscv64 (Release)
- nwchem-data 7.0.2-3build2 in s390x (Release)
- nwchem-data 7.0.2-5 in s390x (Proposed)
- nwchem-data 7.0.2-5 in s390x (Release)