Supported Formats

dpdata supports the following formats:

Supported Formats
Class	Alias	Supported Functions
`ListFormat`	`list`	`System.to()` `LabeledSystem.to()`
`DeePMDRawFormat`	`deepmd/raw` `deepmd`	`LabeledSystem.to()` `MultiSystems.to()` `LabeledSystem()` `System.to()` `System()` `MultiSystems.load_systems_from_file()`
`DeePMDCompFormat`	`deepmd/comp` `deepmd/npy`	`LabeledSystem.to()` `MultiSystems.to()` `LabeledSystem()` `System.to()` `System()` `MultiSystems.load_systems_from_file()`
`DeePMDHDF5Format`	`deepmd/hdf5`	`LabeledSystem.to()` `MultiSystems.to()` `LabeledSystem()` `System.to()` `System()` `MultiSystems.load_systems_from_file()`
`GaussianLogFormat`	`gaussian/log`	`LabeledSystem()`
`GaussianMDFormat`	`gaussian/md`	`LabeledSystem()`
`GromacsGroFormat`	`gromacs/gro` `gro`	`System.to()` `System()` `LabeledSystem.to()`
`VASPPoscarFormat`	`vasp/contcar` `vasp/poscar` `contcar` `poscar`	`System.to()` `System()` `LabeledSystem.to()`
`VASPStringFormat`	`vasp/string`	`System.to()` `LabeledSystem.to()`
`VASPOutcarFormat`	`vasp/outcar` `outcar`	`LabeledSystem()`
`VASPXMLFormat`	`vasp/xml` `xml`	`LabeledSystem()`
`CP2KAIMDOutputFormat`	`cp2k/aimd_output`	`LabeledSystem()`
`CP2KOutputFormat`	`cp2k/output`	`LabeledSystem()`
`XYZFormat`	`xyz`	`System.to()` `LabeledSystem.to()`
`QuipGapXYZFormat`	`quip/gap/xyz_file` `quip/gap/xyz`	`LabeledSystem()` `MultiSystems.load_systems_from_file()`
`AbacusSCFFormat`	`abacus/lcao/scf` `abacus/pw/scf` `abacus/scf`	`LabeledSystem()`
`AbacusMDFormat`	`abacus/lcao/md` `abacus/pw/md` `abacus/md`	`LabeledSystem()`
`SiestaOutputFormat`	`siesta/output`	`LabeledSystem()` `System()`
`SiestaAIMDOutputFormat`	`siesta/aimd_output`	`LabeledSystem()` `System()`
`MolFormat`	`mol_file` `mol`	`BondOrderSystem()` `BondOrderSystem.to()`
`SdfFormat`	`sdf_file` `sdf`	`BondOrderSystem()` `BondOrderSystem.to()`
`LAMMPSLmpFormat`	`lammps/lmp` `lmp`	`System.to()` `System()` `LabeledSystem.to()`
`LAMMPSDumpFormat`	`lammps/dump` `dump`	`System()`
`AmberMDFormat`	`amber/md`	`LabeledSystem()` `System()`
`SQMOutFormat`	`sqm/out`	`LabeledSystem()` `System()`
`SQMINFormat`	`sqm/in`	`System.to()` `LabeledSystem.to()`
`PyMatgenStructureFormat`	`pymatgen/structure`	`System.to()` `LabeledSystem.to()`
`PyMatgenMoleculeFormat`	`pymatgen/molecule`	`System.to()` `System()` `LabeledSystem.to()`
`PyMatgenCSEFormat`	`pymatgen/computedstructureentry`	`LabeledSystem.to()`
`PwmatOutputFormat`	`pwmat/output` `pwmat/mlmd` `pwmat/movement` `mlmd` `movement`	`LabeledSystem()`
`PwmatAtomconfigFormat`	`pwmat/final.config` `pwmat/atom.config` `final.config` `atom.config`	`System.to()` `System()` `LabeledSystem.to()`
`QECPTrajFormat`	`qe/cp/traj`	`LabeledSystem()` `System()`
`QECPPWSCFFormat`	`qe/pw/scf`	`LabeledSystem()`
`FhiMDFormat`	`fhi_aims/output` `fhi_aims/md`	`LabeledSystem()`
`FhiSCFFormat`	`fhi_aims/scf`	`LabeledSystem()`
`ASEStructureFormat`	`ase/structure`	`LabeledSystem()` `System.to()` `LabeledSystem.to()` `MultiSystems.load_systems_from_file()`