aiida.calculations

Project Entry Point
aiida-abinit abinit
aiida-ase ase.ase
aiida-bigdft bigdft
aiida-bigdft bigdft.postscript
aiida-castep castep.bs
aiida-castep castep.castep
aiida-castep castep.pot1d
aiida-castep castep.spec
aiida-castep castep.ts
aiida-codtools codtools.cif_base
aiida-codtools codtools.cif_cell_contents
aiida-codtools codtools.cif_cod_check
aiida-codtools codtools.cif_cod_deposit
aiida-codtools codtools.cif_cod_numbers
aiida-codtools codtools.cif_filter
aiida-codtools codtools.cif_select
aiida-codtools codtools.cif_split_primitive
aiida-codtools codtools.primitive_structure_from_cif
aiida-core arithmetic.add
aiida-core core.transfer
aiida-core templatereplacer
aiida-cp2k cp2k
aiida-cp2k-ng cp2k
aiida-crystal17 crystal17.basic
aiida-crystal17 crystal17.doss
aiida-crystal17 crystal17.ech3
aiida-crystal17 crystal17.main
aiida-crystal17 crystal17.newk
aiida-crystal17 crystal17.ppan
aiida-diff diff
aiida-fleur fleur.fleur
aiida-fleur fleur.inpgen
aiida-gaussian gaussian
aiida-gaussian gaussian.cubegen
aiida-gaussian gaussian.formchk
aiida-gudhi gudhi.rdm
aiida-gulp gulp.fitting
aiida-gulp gulp.optimize
aiida-gulp gulp.single
aiida-kkr kkr.kkr
aiida-kkr kkr.kkrimp
aiida-kkr kkr.kkrimporter
aiida-kkr kkr.voro
aiida-lammps dynaphopy
aiida-lammps lammps.combinate
aiida-lammps lammps.force
aiida-lammps lammps.md
aiida-lammps lammps.md.multi
aiida-lammps lammps.optimize
aiida-nwchem nwchem.nwchem
aiida-orca orca_asa
aiida-orca orca_main
aiida-phonopy phonopy.phonopy
aiida-phtools phtools.dmatrix
aiida-phtools phtools.surface
aiida-plugin-template template.multiply
aiida-plumed plumed
aiida-porousmaterials porousmaterials
aiida-qeq qeq.eqeq
aiida-qeq qeq.qeq
aiida-quantumespresso quantumespresso.cp
aiida-quantumespresso quantumespresso.create_kpoints_from_distance
aiida-quantumespresso quantumespresso.dos
aiida-quantumespresso quantumespresso.epw
aiida-quantumespresso quantumespresso.matdyn
aiida-quantumespresso quantumespresso.namelists
aiida-quantumespresso quantumespresso.neb
aiida-quantumespresso quantumespresso.ph
aiida-quantumespresso quantumespresso.pp
aiida-quantumespresso quantumespresso.projwfc
aiida-quantumespresso quantumespresso.pw
aiida-quantumespresso quantumespresso.pw2gw
aiida-quantumespresso quantumespresso.pw2wannier90
aiida-quantumespresso quantumespresso.pwimmigrant
aiida-quantumespresso quantumespresso.q2r
aiida-quantumespresso quantumespresso.seekpath_structure_analysis
aiida-raspa raspa
aiida-spirit spirit
aiida-sssp-workflow sssp_workflow.birch_murnaghan_fit
aiida-sssp-workflow sssp_workflow.calculate_delta
aiida-sssp-workflow sssp_workflow.calculate_delta_volume
aiida-tbmodels tbmodels.eigenvals
aiida-tbmodels tbmodels.parse
aiida-tbmodels tbmodels.slice
aiida-tbmodels tbmodels.symmetrize
aiida-wannier90 wannier90.wannier90
aiida-yambo yambo.yambo
aiida-zeopp zeopp.network