gpumd executableΒΆ
Contents
- Input files
- Input parameters
replicate
velocity
correct_velocity
potential
dftd3
change_box
deform
ensemble
(overview)ensemble
(standard)ensemble
(MTTK)ensemble
(thermal transport)ensemble
(PIMD)ensemble
(TI_Spring)ensemble
(MSST)fix
time_step
plumed
mc
electron_stop
minimize
run
compute
compute_cohesive
compute_dos
compute_elastic
compute_gkma
compute_hac
compute_hnema
compute_hnemd
compute_hnemdec
compute_phonon
compute_sdc
compute_msd
compute_shc
compute_viscosity
compute_lsqt
compute_rdf
active
dump_exyz
dump_beads
dump_observer
dump_force
dump_netcdf
dump_position
dump_restart
dump_thermo
dump_velocity
- Output files
cohesive.out
compute.out
D.out
dos.out
force.out
hac.out
heatmode.out
kappa.out
kappamode.out
mvac.out
movie.xyz
omega2.out
restart.xyz
dump.xyz
observer.xyz
observer.out
active.xyz
active.out
sdc.out
msd.out
shc.out
thermo.out
velocity.out
viscosity.out
onsager.out
rdf.out
mcmd.out
lsqt_dos.out
lsqt_velocity.out
lsqt_sigma.out