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Update qmcpack_input.py
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kayahans committed Jun 28, 2023
1 parent c5c9853 commit 8113ccf
Showing 1 changed file with 3 additions and 2 deletions.
5 changes: 3 additions & 2 deletions nexus/lib/qmcpack_input.py
Expand Up @@ -2564,7 +2564,8 @@ class dmc(QIxml):
'en_ref','tau','alpha','gamma','max_branch','killnode','swap_walkers',
'swap_trigger','branching_cutoff_scheme','l2_diffusion','maxage',
'max_seconds']
write_types = obj(usedrift=yesno,profiling=yesno,reconfiguration=yesno, # batched
write_types = obj(usedrift=yesno,profiling=yesno,reconfiguration=yesno,
crowd_serialize_walkers=yesno, # batched
nonlocalmoves=yesnostr,use_nonblocking=yesno,
gpu=yesno,fastgrad=yesno,completed=yesno,killnode=yesno, # legacy - batched
swap_walkers=yesno,l2_diffusion=yesno)
Expand Down Expand Up @@ -2600,7 +2601,7 @@ class dmc_batch(QIxml):
attributes = ['method','move','profiling','kdelay','checkpoint']
elements = ['estimator']
parameters = ['total_walkers','walkers_per_rank','crowd_serialize_walkers','crowds','warmupsteps','blocks','steps','substeps','timestep','maxcpusecs','rewind','storeconfigs','checkproperties','recordconfigs','current','stepsbetweensamples','samplesperthread','samples','reconfiguration','nonlocalmoves','maxage','alpha','gamma','reserve','use_nonblocking','branching_cutoff_scheme','feedback','sigmabound']
write_types = obj(usedrift=yesno,profiling=yesno,reconfiguration=yesno,nonlocalmoves=yesnostr,use_nonblocking=yesno)
write_types = obj(usedrift=yesno,profiling=yesno,reconfiguration=yesno,nonlocalmoves=yesnostr,use_nonblocking=yesno, crowd_serialize_walkers=yesno)
#end class dmc_batch

class linear_batch(QIxml):
Expand Down

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