Packages / Debian 13 (Trixie) / science / gpaw
Package: gpaw (25.1.0-1+b1)
Maintainers:
External Resources:
Homepage: [wiki.fysik.dtu.dk]
DFT and beyond within the projector-augmented wave method
Other Packages Related to gpaw:
dep: [gpaw-data]
gpaw datasets/setups
dep: [openmpi-bin]
high performance message passing library -- binaries
dep: [python3-ase] (>= 3.23.0)
Atomic Simulation Environment (Python 3)
dep: [python3-scipy]
scientific tools for Python 3
dep: python3-numpy2-abi0
Package not available
dep: python3-numpy-abi9
Package not available
dep: [python3] (<< 3.14)
interactive high-level object-oriented language (default python3 version)
dep: [python3] (>= 3.13~)
interactive high-level object-oriented language (default python3 version)
dep: [python3-numpy]
Python library for numerical computations (Python 3)
dep: [python3] [any]
interactive high-level object-oriented language (default python3 version)
dep: [libc6] (>= 2.38)
GNU C Library: Shared libraries
dep: [libelpa19] (>= 2022.11.001)
Eigenvalue SoLvers for Petaflop-Applications
dep: [libfftw3-double3] (>= 3.3.10)
Library for computing Fast Fourier Transforms - Double precision
dep: [libopenmpi40] (>= 5.0.7)
high performance message passing library -- shared library
dep: [libscalapack-openmpi2.2] (>= 2.2.2)
Scalable Linear Algebra Package - Shared libs for OpenMPI
dep: [libxc9] (>= 5.0.0)
Library of Exchange-Correlation Functionals
Download gpaw
| Architecture | Package Size | Installed Size | Files |
|---|---|---|---|
| amd64 | 1.4 MiB | 7.8 MiB | [list of files] |
| arm64 | 1.4 MiB | 7.8 MiB | [list of files] |
Caminhos de arquivo do pacote (1,144)
Showing the first 250 sorted package-associated paths. Use file search to locate a specific path.
- /usr/bin/gpaw
- /usr/bin/gpaw-analyse-basis
- /usr/bin/gpaw-basis
- /usr/bin/gpaw-plot-parallel-timings
- /usr/bin/gpaw-runscript
- /usr/bin/gpaw-setup
- /usr/bin/gpaw-upfplot
- /usr/lib/python3/dist-packages/gpaw-25.1.0.egg-info/dependency_links.txt
- /usr/lib/python3/dist-packages/gpaw-25.1.0.egg-info/entry_points.txt
- /usr/lib/python3/dist-packages/gpaw-25.1.0.egg-info/PKG-INFO
- /usr/lib/python3/dist-packages/gpaw-25.1.0.egg-info/requires.txt
- /usr/lib/python3/dist-packages/gpaw-25.1.0.egg-info/top_level.txt
- /usr/lib/python3/dist-packages/gpaw/ae.py
- /usr/lib/python3/dist-packages/gpaw/ah.py
- /usr/lib/python3/dist-packages/gpaw/analyse/eed.py
- /usr/lib/python3/dist-packages/gpaw/analyse/expandyl.py
- /usr/lib/python3/dist-packages/gpaw/analyse/hirshfeld.py
- /usr/lib/python3/dist-packages/gpaw/analyse/__init__.py
- /usr/lib/python3/dist-packages/gpaw/analyse/multipole.py
- /usr/lib/python3/dist-packages/gpaw/analyse/observers.py
- /usr/lib/python3/dist-packages/gpaw/analyse/overlap.py
- /usr/lib/python3/dist-packages/gpaw/analyse/simple_stm.py
- /usr/lib/python3/dist-packages/gpaw/analyse/vdwradii.py
- /usr/lib/python3/dist-packages/gpaw/analyse/wignerseitz.py
- /usr/lib/python3/dist-packages/gpaw/arraydict.py
- /usr/lib/python3/dist-packages/gpaw/atom/aeatom.py
- /usr/lib/python3/dist-packages/gpaw/atom/all_electron.py
- /usr/lib/python3/dist-packages/gpaw/atom/analyse_setup.py
- /usr/lib/python3/dist-packages/gpaw/atom/atompaw.py
- /usr/lib/python3/dist-packages/gpaw/atom/basis.py
- /usr/lib/python3/dist-packages/gpaw/atom/check.py
- /usr/lib/python3/dist-packages/gpaw/atom/configurations.py
- /usr/lib/python3/dist-packages/gpaw/atom/filter.py
- /usr/lib/python3/dist-packages/gpaw/atom/generator2.py
- /usr/lib/python3/dist-packages/gpaw/atom/generator.py
- /usr/lib/python3/dist-packages/gpaw/atom/gpaw_basis.py
- /usr/lib/python3/dist-packages/gpaw/atom/gpaw_setup.py
- /usr/lib/python3/dist-packages/gpaw/atom/__init__.py
- /usr/lib/python3/dist-packages/gpaw/atom/optimize.py
- /usr/lib/python3/dist-packages/gpaw/atom/radialgd.py
- /usr/lib/python3/dist-packages/gpaw/atomrotations.py
- /usr/lib/python3/dist-packages/gpaw/atom/shapefunc.py
- /usr/lib/python3/dist-packages/gpaw/band_descriptor.py
- /usr/lib/python3/dist-packages/gpaw/basis_data.py
- /usr/lib/python3/dist-packages/gpaw/berryphase.py
- /usr/lib/python3/dist-packages/gpaw/bfield.py
- /usr/lib/python3/dist-packages/gpaw/blacs.py
- /usr/lib/python3/dist-packages/gpaw/borncharges.py
- /usr/lib/python3/dist-packages/gpaw/_broadcast_imports.py
- /usr/lib/python3/dist-packages/gpaw/bztools.py
- /usr/lib/python3/dist-packages/gpaw/calculator.py
- /usr/lib/python3/dist-packages/gpaw/cdft/cdft_coupling.py
- /usr/lib/python3/dist-packages/gpaw/cdft/cdft.py
- /usr/lib/python3/dist-packages/gpaw/cdft/__init__.py
- /usr/lib/python3/dist-packages/gpaw/cgpaw.py
- /usr/lib/python3/dist-packages/gpaw/cli/complete.py
- /usr/lib/python3/dist-packages/gpaw/cli/completion.py
- /usr/lib/python3/dist-packages/gpaw/cli/dos.py
- /usr/lib/python3/dist-packages/gpaw/cli/gpw.py
- /usr/lib/python3/dist-packages/gpaw/cli/info.py
- /usr/lib/python3/dist-packages/gpaw/cli/__init__.py
- /usr/lib/python3/dist-packages/gpaw/cli/install_data.py
- /usr/lib/python3/dist-packages/gpaw/cli/main.py
- /usr/lib/python3/dist-packages/gpaw/cli/python.py
- /usr/lib/python3/dist-packages/gpaw/cli/quick.py
- /usr/lib/python3/dist-packages/gpaw/cli/run.py
- /usr/lib/python3/dist-packages/gpaw/cli/sbatch.py
- /usr/lib/python3/dist-packages/gpaw/cli/test.py
- /usr/lib/python3/dist-packages/gpaw/cluster.py
- /usr/lib/python3/dist-packages/gpaw/coding_style.py
- /usr/lib/python3/dist-packages/gpaw/convergence_criteria.py
- /usr/lib/python3/dist-packages/gpaw/core/arrays.py
- /usr/lib/python3/dist-packages/gpaw/core/atom_arrays.py
- /usr/lib/python3/dist-packages/gpaw/core/atom_centered_functions.py
- /usr/lib/python3/dist-packages/gpaw/core/domain.py
- /usr/lib/python3/dist-packages/gpaw/core/__init__.py
- /usr/lib/python3/dist-packages/gpaw/core/matrix.py
- /usr/lib/python3/dist-packages/gpaw/core/plane_waves.py
- /usr/lib/python3/dist-packages/gpaw/core/pwacf.py
- /usr/lib/python3/dist-packages/gpaw/core/uniform_grid.py
- /usr/lib/python3/dist-packages/gpaw/coulomb.py
- /usr/lib/python3/dist-packages/_gpaw.cpython-313-aarch64-linux-gnu.so
- /usr/lib/python3/dist-packages/_gpaw.cpython-313-x86_64-linux-gnu.so
- /usr/lib/python3/dist-packages/gpaw/data/g2_1_ref.py
- /usr/lib/python3/dist-packages/gpaw/data/__init__.py
- /usr/lib/python3/dist-packages/gpaw/defects/__init__.py
- /usr/lib/python3/dist-packages/gpaw/densities.py
- /usr/lib/python3/dist-packages/gpaw/density.py
- /usr/lib/python3/dist-packages/gpaw/dfpt/dynamicalmatrix.py
- /usr/lib/python3/dist-packages/gpaw/dfpt/electronphononcoupling.py
- /usr/lib/python3/dist-packages/gpaw/dfpt/__init__.py
- /usr/lib/python3/dist-packages/gpaw/dfpt/kpointcontainer.py
- /usr/lib/python3/dist-packages/gpaw/dfpt/linearsolver.py
- /usr/lib/python3/dist-packages/gpaw/dfpt/mixer.py
- /usr/lib/python3/dist-packages/gpaw/dfpt/perturbation.py
- /usr/lib/python3/dist-packages/gpaw/dfpt/phononcalculator.py
- /usr/lib/python3/dist-packages/gpaw/dfpt/phononperturbation.py
- /usr/lib/python3/dist-packages/gpaw/dfpt/phonons.py
- /usr/lib/python3/dist-packages/gpaw/dfpt/poisson.py
- /usr/lib/python3/dist-packages/gpaw/dfpt/preconditioner.py
- /usr/lib/python3/dist-packages/gpaw/dfpt/responsecalculator.py
- /usr/lib/python3/dist-packages/gpaw/dfpt/scipylinearsolver.py
- /usr/lib/python3/dist-packages/gpaw/dfpt/sternheimeroperator.py
- /usr/lib/python3/dist-packages/gpaw/dfpt/wavefunctions.py
- /usr/lib/python3/dist-packages/gpaw/dipole_correction.py
- /usr/lib/python3/dist-packages/gpaw/directmin/derivatives.py
- /usr/lib/python3/dist-packages/gpaw/directmin/etdm_fdpw.py
- /usr/lib/python3/dist-packages/gpaw/directmin/etdm_lcao.py
- /usr/lib/python3/dist-packages/gpaw/directmin/fdpw/er_localization.py
- /usr/lib/python3/dist-packages/gpaw/directmin/fdpw/etdm_inner_loop.py
- /usr/lib/python3/dist-packages/gpaw/directmin/fdpw/__init__.py
- /usr/lib/python3/dist-packages/gpaw/directmin/fdpw/pz_localization.py
- /usr/lib/python3/dist-packages/gpaw/directmin/functional/fdpw/__init__.py
- /usr/lib/python3/dist-packages/gpaw/directmin/functional/fdpw/ks.py
- /usr/lib/python3/dist-packages/gpaw/directmin/functional/fdpw/pz.py
- /usr/lib/python3/dist-packages/gpaw/directmin/functional/__init__.py
- /usr/lib/python3/dist-packages/gpaw/directmin/functional/lcao/__init__.py
- /usr/lib/python3/dist-packages/gpaw/directmin/functional/lcao/ks.py
- /usr/lib/python3/dist-packages/gpaw/directmin/functional/lcao/pz.py
- /usr/lib/python3/dist-packages/gpaw/directmin/__init__.py
- /usr/lib/python3/dist-packages/gpaw/directmin/lcao/etdm_helper_lcao.py
- /usr/lib/python3/dist-packages/gpaw/directmin/lcao/__init__.py
- /usr/lib/python3/dist-packages/gpaw/directmin/locfunc/etdm_localization_fdpw.py
- /usr/lib/python3/dist-packages/gpaw/directmin/locfunc/__init__.py
- /usr/lib/python3/dist-packages/gpaw/directmin/locfunc/localize_orbitals.py
- /usr/lib/python3/dist-packages/gpaw/directmin/ls_etdm.py
- /usr/lib/python3/dist-packages/gpaw/directmin/scf_helper.py
- /usr/lib/python3/dist-packages/gpaw/directmin/sd_etdm.py
- /usr/lib/python3/dist-packages/gpaw/directmin/tools.py
- /usr/lib/python3/dist-packages/gpaw/doctools/aamath.py
- /usr/lib/python3/dist-packages/gpaw/doctools/agts_crontab.py
- /usr/lib/python3/dist-packages/gpaw/doctools/build_web_page.py
- /usr/lib/python3/dist-packages/gpaw/doctools/codegraph.py
- /usr/lib/python3/dist-packages/gpaw/doctools/__init__.py
- /usr/lib/python3/dist-packages/gpaw/domain.py
- /usr/lib/python3/dist-packages/gpaw/dos.py
- /usr/lib/python3/dist-packages/gpaw/dscf.py
- /usr/lib/python3/dist-packages/gpaw/eigensolvers/cg.py
- /usr/lib/python3/dist-packages/gpaw/eigensolvers/davidson.py
- /usr/lib/python3/dist-packages/gpaw/eigensolvers/diagonalizerbackend.py
- /usr/lib/python3/dist-packages/gpaw/eigensolvers/direct.py
- /usr/lib/python3/dist-packages/gpaw/eigensolvers/eigensolver.py
- /usr/lib/python3/dist-packages/gpaw/eigensolvers/__init__.py
- /usr/lib/python3/dist-packages/gpaw/eigensolvers/rmmdiis.py
- /usr/lib/python3/dist-packages/gpaw/electrostatic_potential.py
- /usr/lib/python3/dist-packages/gpaw/elf.py
- /usr/lib/python3/dist-packages/gpaw/elph/displacements.py
- /usr/lib/python3/dist-packages/gpaw/elph/filter.py
- /usr/lib/python3/dist-packages/gpaw/elph/gmatrix.py
- /usr/lib/python3/dist-packages/gpaw/elph/gpts.py
- /usr/lib/python3/dist-packages/gpaw/elph/__init__.py
- /usr/lib/python3/dist-packages/gpaw/elph/raman_calculator.py
- /usr/lib/python3/dist-packages/gpaw/elph/raman_data.py
- /usr/lib/python3/dist-packages/gpaw/elph/supercell.py
- /usr/lib/python3/dist-packages/gpaw/external.py
- /usr/lib/python3/dist-packages/gpaw/fd_operators.py
- /usr/lib/python3/dist-packages/gpaw/fdtd/__init__.py
- /usr/lib/python3/dist-packages/gpaw/fdtd/poisson_fdtd.py
- /usr/lib/python3/dist-packages/gpaw/fdtd/polarizable_material.py
- /usr/lib/python3/dist-packages/gpaw/fdtd/potential_couplers.py
- /usr/lib/python3/dist-packages/gpaw/ffbt.py
- /usr/lib/python3/dist-packages/gpaw/fftw.py
- /usr/lib/python3/dist-packages/gpaw/forces.py
- /usr/lib/python3/dist-packages/gpaw/fulldiag.py
- /usr/lib/python3/dist-packages/gpaw/gaunt.py
- /usr/lib/python3/dist-packages/gpaw/gauss.py
- /usr/lib/python3/dist-packages/gpaw/gpu/cpupy/cublas.py
- /usr/lib/python3/dist-packages/gpaw/gpu/cpupy/fft.py
- /usr/lib/python3/dist-packages/gpaw/gpu/cpupy/__init__.py
- /usr/lib/python3/dist-packages/gpaw/gpu/cpupy/linalg.py
- /usr/lib/python3/dist-packages/gpaw/gpu/cpupy/random.py
- /usr/lib/python3/dist-packages/gpaw/gpu/cpupyx/fft.py
- /usr/lib/python3/dist-packages/gpaw/gpu/cpupyx/__init__.py
- /usr/lib/python3/dist-packages/gpaw/gpu/cpupyx/scipy.py
- /usr/lib/python3/dist-packages/gpaw/gpu/cpupyx/sparse.py
- /usr/lib/python3/dist-packages/gpaw/gpu/__init__.py
- /usr/lib/python3/dist-packages/gpaw/gpu/mpi.py
- /usr/lib/python3/dist-packages/gpaw/grid_descriptor.py
- /usr/lib/python3/dist-packages/gpaw/hamiltonian.py
- /usr/lib/python3/dist-packages/gpaw/heg.py
- /usr/lib/python3/dist-packages/gpaw/helmholtz.py
- /usr/lib/python3/dist-packages/gpaw/hgh_parameters.py
- /usr/lib/python3/dist-packages/gpaw/hgh.py
- /usr/lib/python3/dist-packages/gpaw/hubbard.py
- /usr/lib/python3/dist-packages/gpaw/hybrids/coulomb.py
- /usr/lib/python3/dist-packages/gpaw/hybrids/eigenvalues.py
- /usr/lib/python3/dist-packages/gpaw/hybrids/energy.py
- /usr/lib/python3/dist-packages/gpaw/hybrids/forces.py
- /usr/lib/python3/dist-packages/gpaw/hybrids/__init__.py
- /usr/lib/python3/dist-packages/gpaw/hybrids/kpts.py
- /usr/lib/python3/dist-packages/gpaw/hybrids/paw.py
- /usr/lib/python3/dist-packages/gpaw/hybrids/scf.py
- /usr/lib/python3/dist-packages/gpaw/hybrids/symmetry.py
- /usr/lib/python3/dist-packages/gpaw/hybrids/wrapper.py
- /usr/lib/python3/dist-packages/gpaw/hybrids/wstc.py
- /usr/lib/python3/dist-packages/gpaw/hyperfine.py
- /usr/lib/python3/dist-packages/gpaw/ibz2bz.py
- /usr/lib/python3/dist-packages/gpaw/inducedfield/inducedfield_base.py
- /usr/lib/python3/dist-packages/gpaw/inducedfield/inducedfield_fdtd.py
- /usr/lib/python3/dist-packages/gpaw/inducedfield/inducedfield_lrtddft.py
- /usr/lib/python3/dist-packages/gpaw/inducedfield/inducedfield_tddft.py
- /usr/lib/python3/dist-packages/gpaw/inducedfield/__init__.py
- /usr/lib/python3/dist-packages/gpaw/__init__.py
- /usr/lib/python3/dist-packages/gpaw/io/fmf.py
- /usr/lib/python3/dist-packages/gpaw/io/__init__.py
- /usr/lib/python3/dist-packages/gpaw/io/logger.py
- /usr/lib/python3/dist-packages/gpaw/io/old.py
- /usr/lib/python3/dist-packages/gpaw/io/tar.py
- /usr/lib/python3/dist-packages/gpaw/jellium.py
- /usr/lib/python3/dist-packages/gpaw/kohnsham_layouts.py
- /usr/lib/python3/dist-packages/gpaw/kpoint.py
- /usr/lib/python3/dist-packages/gpaw/kpt_descriptor.py
- /usr/lib/python3/dist-packages/gpaw/kpt_refine.py
- /usr/lib/python3/dist-packages/gpaw/lcao/analyse_basis.py
- /usr/lib/python3/dist-packages/gpaw/lcao/atomic_correction.py
- /usr/lib/python3/dist-packages/gpaw/lcao/bsse.py
- /usr/lib/python3/dist-packages/gpaw/lcao/dipoletransition.py
- /usr/lib/python3/dist-packages/gpaw/lcao/eigensolver.py
- /usr/lib/python3/dist-packages/gpaw/lcao/el_ph.py
- /usr/lib/python3/dist-packages/gpaw/lcao/generate_extended.py
- /usr/lib/python3/dist-packages/gpaw/lcao/generate_ngto_augmented.py
- /usr/lib/python3/dist-packages/gpaw/lcao/__init__.py
- /usr/lib/python3/dist-packages/gpaw/lcao/local_orbitals.py
- /usr/lib/python3/dist-packages/gpaw/lcao/overlap.py
- /usr/lib/python3/dist-packages/gpaw/lcao/projected_wannier.py
- /usr/lib/python3/dist-packages/gpaw/lcao/pwf2.py
- /usr/lib/python3/dist-packages/gpaw/lcao/scissors.py
- /usr/lib/python3/dist-packages/gpaw/lcao/tci.py
- /usr/lib/python3/dist-packages/gpaw/lcaotddft/densitymatrix.py
- /usr/lib/python3/dist-packages/gpaw/lcaotddft/dipolemomentwriter.py
- /usr/lib/python3/dist-packages/gpaw/lcaotddft/energywriter.py
- /usr/lib/python3/dist-packages/gpaw/lcaotddft/frequencydensitymatrix.py
- /usr/lib/python3/dist-packages/gpaw/lcaotddft/hamiltonian.py
- /usr/lib/python3/dist-packages/gpaw/lcaotddft/__init__.py
- /usr/lib/python3/dist-packages/gpaw/lcaotddft/ksdecomposition.py
- /usr/lib/python3/dist-packages/gpaw/lcaotddft/laser.py
- /usr/lib/python3/dist-packages/gpaw/lcaotddft/linedensity.py
- /usr/lib/python3/dist-packages/gpaw/lcaotddft/logger.py
- /usr/lib/python3/dist-packages/gpaw/lcaotddft/magneticmomentwriter.py
- /usr/lib/python3/dist-packages/gpaw/lcaotddft/observer.py
- /usr/lib/python3/dist-packages/gpaw/lcaotddft/propagators.py
- /usr/lib/python3/dist-packages/gpaw/lcaotddft/qed.py
- /usr/lib/python3/dist-packages/gpaw/lcaotddft/quadrupolemomentwriter.py
- /usr/lib/python3/dist-packages/gpaw/lcaotddft/restartfilewriter.py
- /usr/lib/python3/dist-packages/gpaw/lcaotddft/tcm.py
- /usr/lib/python3/dist-packages/gpaw/lcaotddft/timedensitymatrix.py
- /usr/lib/python3/dist-packages/gpaw/lcaotddft/utilities.py
- /usr/lib/python3/dist-packages/gpaw/lcaotddft/wfwriter.py
- /usr/lib/python3/dist-packages/gpaw/lcao/tightbinding.py
- /usr/lib/python3/dist-packages/gpaw/lcao/tools.py
Field source: Debian 13 (Trixie) main amd64 revision trixie-main-amd64:3ab4e811cf4f3e5a335d382c58cc19d85f1abe7a4ef4689160ca1f637fa0e9b3
