aiida.calculations
| Project | Entry Point |
|---|---|
| aiida-abinit | abinit |
| aiida-aimall | aimall.aimqb |
| aiida-amber | amber.sander |
| aiida-ase | ase.ase |
| aiida-aurora | aurora.cycler |
| aiida-aurora | aurora.fake |
| aiida-bader | bader |
| aiida-bigdft | bigdft |
| aiida-calcmonitor | calcmonitor.calcjob_monitor |
| aiida-calcmonitor | calcmonitor.toymodel_calcjob |
| aiida-castep | castep.castep |
| 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 | core.arithmetic.add |
| aiida-core | core.templatereplacer |
| aiida-core | core.transfer |
| 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-ddec | ddec |
| aiida-diff | diff |
| aiida-environ | environ.finite |
| aiida-environ | environ.pw |
| aiida-fenics | fenics.pfdisloc |
| aiida-fleur | fleur.fleur |
| aiida-fleur | fleur.inpgen |
| aiida-flexpart | collect.sensitivities |
| aiida-flexpart | flexpart.cosmo |
| aiida-flexpart | flexpart.ifs |
| aiida-flexpart | flexpart.post |
| aiida-flexpart | inversion.calc |
| aiida-gaussian | gaussian |
| aiida-gaussian | gaussian.cubegen |
| aiida-gaussian | gaussian.formchk |
| aiida-gromacs | gromacs.editconf |
| aiida-gromacs | gromacs.genericMD |
| aiida-gromacs | gromacs.genion |
| aiida-gromacs | gromacs.grompp |
| aiida-gromacs | gromacs.make_ndx |
| aiida-gromacs | gromacs.mdrun |
| aiida-gromacs | gromacs.pdb2gmx |
| aiida-gromacs | gromacs.solvate |
| aiida-gudhi | gudhi.rdm |
| aiida-gulp | gulp.fitting |
| aiida-gulp | gulp.optimize |
| aiida-gulp | gulp.single |
| aiida-icon | icon.icon |
| aiida-inq | inq.create_kpoints_from_distance |
| aiida-inq | inq.inq |
| aiida-kkr | kkr.kkr |
| aiida-kkr | kkr.kkrimp |
| aiida-kkr | kkr.kkrimporter |
| aiida-kkr | kkr.kkrnano |
| aiida-kkr | kkr.voro |
| aiida-lammps | lammps.base |
| aiida-lammps | lammps.raw |
| aiida-mlip | mlip.md |
| aiida-mlip | mlip.opt |
| aiida-mlip | mlip.sp |
| aiida-mlip | mlip.train |
| aiida-nanotech-empa | nanotech_empa.afm |
| aiida-nanotech-empa | nanotech_empa.hrstm |
| aiida-nanotech-empa | nanotech_empa.overlap |
| aiida-nanotech-empa | nanotech_empa.stm |
| aiida-nwchem | nwchem.base |
| aiida-nwchem | nwchem.nwchem |
| aiida-orca | orca.asa |
| aiida-orca | orca.orca |
| aiida-phonopy | phonopy.phonopy |
| aiida-phtools | phtools.dmatrix |
| aiida-phtools | phtools.surface |
| aiida-plugin-template | template.multiply |
| aiida-plumed | plumed |
| aiida-porousmaterials | porousmaterials |
| aiida-pyscf | pyscf.base |
| aiida-pythonjob | pythonjob.pythonjob |
| aiida-qeq | qeq.eqeq |
| aiida-qeq | qeq.qeq |
| aiida-quantum-transport | quantum_transport |
| aiida-quantum-transport | quantum_transport.current |
| aiida-quantum-transport | quantum_transport.dft |
| aiida-quantum-transport | quantum_transport.dmft |
| aiida-quantum-transport | quantum_transport.greens |
| aiida-quantum-transport | quantum_transport.hybridize |
| aiida-quantum-transport | quantum_transport.localize |
| aiida-quantum-transport | quantum_transport.transmission |
| aiida-quantumespresso | quantumespresso.bands |
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