jboschen bc3807aa4b Fix sign of forces in AO mode, update h2o examples

2020-01-31 00:42:00 -06:00

..

data.h2o

add NWChem wrapper to client/server mode for AIMD

2019-09-27 15:28:48 -06:00

h2o.nw

add NWChem wrapper to client/server mode for AIMD

2019-09-27 15:28:48 -06:00

in.client.h2o

Fix sign of forces in AO mode, update h2o examples

2020-01-31 00:42:00 -06:00

in.client.h2o.min

Fix sign of forces in AO mode, update h2o examples

2020-01-31 00:42:00 -06:00

log.client.output

Fix sign of forces in AO mode, update h2o examples

2020-01-31 00:42:00 -06:00

log.lammps.h2o.31Jan20

Fix sign of forces in AO mode, update h2o examples

2020-01-31 00:42:00 -06:00

log.lammps.h2o.min.31Jan20

Fix sign of forces in AO mode, update h2o examples

2020-01-31 00:42:00 -06:00

nwchem_lammps.out

Fix sign of forces in AO mode, update h2o examples

2020-01-31 00:42:00 -06:00

nwchem_lammps.out.h2o.31Jan20

Fix sign of forces in AO mode, update h2o examples

2020-01-31 00:42:00 -06:00

nwchem_lammps.out.h2o.min.31Jan20

Fix sign of forces in AO mode, update h2o examples

2020-01-31 00:42:00 -06:00