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396a95f7aff3b51a63cb10c846c6671702b617d9
lammps/examples/COUPLE/lammps_nwchem/ao_basis
History
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
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