Diffusion SCITAS examples on how to run on the clusters (master) History

scitas-examples/Modules/molpro
master66aed84f70470c93ea535cf…

Jul 19 2019

molpro not available
62829e2e08cc
·aubort on Jul 19 2019, 17:04.

Jul 18 2019

rename mkl to intel-mkl
72dfd9b3a783
·aubort on Jul 18 2019, 15:42.
rename intel-mpi package in deprecated
400131b26540
·aubort on Jul 18 2019, 15:41.

Oct 31 2017

Updated most examples (module name, version number, cluster name)
33f633756254
·desbiolles on Oct 31 2017, 12:09.

Dec 8 2015

Fixed all example scripts to invoke a login shell
bf427890bfa9
·rmsilva on Dec 8 2015, 10:01.

Sep 15 2015

Adding a few more chemistry related codes
f5fa52c67f36
·ddossant on Sep 15 2015, 13:44.