ListFormat
| list
| System.to() LabeledSystem.to()
|
DeePMDRawFormat
| deepmd/raw deepmd
| LabeledSystem() System() MultiSystems.to() LabeledSystem.to() System.to() MultiSystems.load_systems_from_file()
|
DeePMDCompFormat
| deepmd/comp deepmd/npy
| LabeledSystem() System() MultiSystems.to() LabeledSystem.to() System.to() MultiSystems.load_systems_from_file()
|
DeePMDHDF5Format
| deepmd/hdf5
| LabeledSystem() System() MultiSystems.to() LabeledSystem.to() System.to() MultiSystems.load_systems_from_file()
|
GaussianLogFormat
| gaussian/log
| LabeledSystem()
|
GaussianMDFormat
| gaussian/md
| LabeledSystem()
|
GaussiaGJFFormat
| gaussian/gjf
| System.to() LabeledSystem.to()
|
GromacsGroFormat
| gromacs/gro gro
| System.to() LabeledSystem.to() System()
|
VASPPoscarFormat
| vasp/contcar vasp/poscar contcar poscar
| System.to() LabeledSystem.to() System()
|
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() System()
|
QuipGapXYZFormat
| quip/gap/xyz_file quip/gap/xyz
| LabeledSystem() MultiSystems.load_systems_from_file()
|
AbacusSTRUFormat
| stru abacus/stru
| System.to() LabeledSystem.to() System()
|
AbacusSCFFormat
| abacus/lcao/scf abacus/pw/scf abacus/scf
| LabeledSystem()
|
AbacusMDFormat
| abacus/lcao/md abacus/pw/md abacus/md
| LabeledSystem()
|
AbacusRelaxFormat
| abacus/lcao/relax abacus/pw/relax abacus/relax
| 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() LabeledSystem.to() System()
|
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() LabeledSystem.to() System()
|
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() LabeledSystem.to() System()
|
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() LabeledSystem.to() System.to() MultiSystems.load_systems_from_file()
|