Welcome to ftp.nluug.nl Current directory: /os/Linux/distr/salix/sbo/15.0/academic/NWChem/ |
|
Contents of README:NWChem aims to provide its users with computational chemistry tools that 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. The default configuration file is at: /usr/share/NWChem-VERSION/nwchemrc.default copy it to your working directory. If you want to install the Python module set the environment variable PYTHON=yes. By default it uses a internal blas library, if you want to use another blas library please set BLAS=yes and install blas and lapack. |
Name Last modified Size
Parent Directory - NWChem.SlackBuild 10-Dec-2022 01:47 4.9K NWChem.info 10-Dec-2022 01:47 374 README 10-Dec-2022 01:47 668 slack-desc 10-Dec-2022 01:47 963
NLUUG - Open Systems. Open Standards
Become a member
and get discounts on conferences and more, see the NLUUG website!