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in.thermostat_ave
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in.thermostat_ave
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################################################################################
# thermal gas in a 3d box with collisions
# the fix temp/rescale command is used to ramp and cool the temperature
# the compute thermal/grid command is used to measure the temperature
# Note:
# - The "comm/sort” option to the “global” command is used to match MPI runs.
# - The “twopass” option is used to match Kokkos runs.
# The "comm/sort" and "twopass" options should not be used for production runs.
################################################################################
seed 12345
dimension 3
global gridcut 1.0e-5 comm/sort yes
boundary rr rr rr
create_box 0 0.0001 0 0.0001 0 0.0001
create_grid 10 10 10
balance_grid rcb part
species ar.species Ar
mixture air Ar vstream 0.0 0.0 0.0 temp 300.0
global nrho 7.07043E22
global fnum 7.07043E6
collide vss air ar.vss
create_particles air n 10000 twopass
compute 1 thermal/grid all air temp
compute 2 reduce ave c_1[1]
stats 100
compute temp temp
stats_style step cpu np nattempt ncoll c_temp c_2
timestep 7.00E-9
fix tstat temp/rescale 200 300 600 ave yes
run 1000
fix tstat temp/rescale 200 600 100 ave yes
run 1000