ALF
Getting Started
What Is ALF
Installation
Quickstart
User Guide
Configuration
Builders
Samplers
ML Interfaces
QM Interfaces
Examples
Simple Water Example
Molten Salt Example
Reactive Sampling Example
API Documentation
alframework
alframework package
Subpackages
alframework.builders package
alframework.ml_interfaces package
alframework.parsl_resource_configs package
alframework.qm_interfaces package
alframework.samplers package
Submodules
alframework.samplers.ASE_ensemble_constructor module
alframework.samplers.ml_driven_md_sampling module
moldyn_sampler()
alframework.samplers.mlmd_sampling module
alframework.samplers.reactive_sampler module
alframework.tools package
License
ALF
alframework
alframework package
alframework.samplers package
alframework.samplers.ml_driven_md_sampling module
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alframework.samplers.ml_driven_md_sampling module
moldyn_sampler
(
ase_atoms
,
ase_calculator
,
model_details
,
sample_params
)
[source]