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atomate2
User Guide
Introduction
Installation
Running Workflows
Using atomate2 with FireWorks
Codes
VASP
Reference
API reference
atomate2.amset
atomate2.amset.files
copy_amset_files
write_amset_settings
atomate2.amset.jobs
AmsetMaker
atomate2.amset.run
check_converged
run_amset
tensor_average
atomate2.amset.schemas
AmsetTaskDocument
MeshData
TransportData
UsageStats
amset
atomate2.common
atomate2.common.analysis
atomate2.common.analysis.elastic
atomate2.common.files
copy_files
delete_files
find_and_filter_files
get_zfile
gunzip_files
gzip_files
rename_files
atomate2.common.jobs
structure_to_conventional
structure_to_primitive
atomate2.common.schemas
atomate2.common.schemas.cclib
atomate2.common.schemas.elastic
atomate2.common.schemas.math
atomate2.common.schemas.molecule
atomate2.common.schemas.structure
atomate2.common.schemas.symmetry
atomate2.settings
Atomate2Settings
atomate2.utils
atomate2.utils.datetime
datetime_str
atomate2.utils.file_client
auto_fileclient
get_ssh_connection
FileClient
atomate2.utils.log
initialize_logger
atomate2.utils.path
find_recent_logfile
get_uri
strip_hostname
atomate2.vasp
atomate2.vasp.builders
atomate2.vasp.builders.elastic
atomate2.vasp.drones
VaspDrone
atomate2.vasp.files
copy_vasp_outputs
get_largest_relax_extension
write_vasp_input_set
atomate2.vasp.flows
atomate2.vasp.flows.amset
atomate2.vasp.flows.core
atomate2.vasp.flows.defect
atomate2.vasp.flows.elastic
atomate2.vasp.flows.elph
atomate2.vasp.flows.phonons
atomate2.vasp.jobs
atomate2.vasp.jobs.amset
atomate2.vasp.jobs.base
atomate2.vasp.jobs.core
atomate2.vasp.jobs.defect
atomate2.vasp.jobs.elastic
atomate2.vasp.jobs.elph
atomate2.vasp.jobs.phonons
atomate2.vasp.powerups
update_user_incar_settings
update_user_kpoints_settings
update_user_potcar_functional
update_user_potcar_settings
use_auto_ispin
atomate2.vasp.run
run_vasp
should_stop_children
JobType
atomate2.vasp.schemas
atomate2.vasp.schemas.calc_types
atomate2.vasp.schemas.calculation
atomate2.vasp.schemas.defect
atomate2.vasp.schemas.elph
atomate2.vasp.schemas.phonons
atomate2.vasp.schemas.task
atomate2.vasp.sets
atomate2.vasp.sets.base
atomate2.vasp.sets.core
atomate2.vasp.sets.defect
Developer Guide
Developer Installation
Writing VASP Tests
About
Change log
Contributors
Contributing to atomate2
License
repository
open issue
suggest edit
.rst
.pdf
amset
amset
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