deepmd/comp format
deepmd/npy format
Class: Convert this format to converted system Dump the system in deepmd compressed format (numpy binary) to folder. The frames are firstly split to sets, then dumped to seperated subfolders named as folder/set.000, folder/set.001, …. Each set contains set_size frames. The last set may have less frames than set_size. The output folder The size of each set. The floating point precision of the compressed data Dump the system in deepmd compressed format (numpy binary) to folder. The frames are firstly split to sets, then dumped to seperated subfolders named as folder/set.000, folder/set.001, …. Each set contains set_size frames. The last set may have less frames than set_size. The output folder The size of each set. The floating point precision of the compressed data Convert this format to converted system Convert this format to directory of systems converted system Convert directory to save systems this systemDeePMDCompFormat
Conversions
Convert from this format to System
System
.Convert from System to this format
Convert from LabeledSystem to this format
Convert from this format to LabeledSystem
LabeledSystem
.Convert from this format to MultiSystems
MultiSystems
.Convert from MultiSystems to this format
MultiSystems
to this format.