| ► commands | |
| command.h | Provides the base class and various helpers for defining commands in the input file |
| minimize.h | Provides base class for defining the minimize commands |
| ParamList.h | Helper class for parsing command lines in input file |
| parser.h | Functions for parsing JDFTx input files |
| ► core | |
| BlasExtra.h | Commonly used BLAS-like routines |
| Coulomb.h | |
| Coulomb_ExchangeEval.h | |
| Coulomb_internal.h | Shared inline functions / internal declarations for Coulomb framework |
| CoulombIsolated.h | |
| CoulombKernel.h | |
| CoulombPeriodic.h | |
| CoulombSlab.h | |
| CoulombWire.h | |
| EnergyComponents.h | Represent components of the (free) energy |
| GpuKernelUtils.h | Common utility functions/macros for the gpu kernels and launchers in the .cu files |
| GpuUtil.h | |
| GridInfo.h | Geometry of the simulation grid |
| LatticeUtils.h | |
| LoopMacros.h | |
| ManagedMemory.h | |
| matrix3.h | |
| Minimize.h | Nonlinear minimization templates |
| Minimize_lBFGS.h | |
| Minimize_linmin.h | |
| MinimizeParams.h | |
| MPIUtil.h | |
| Operators.h | Operators on ScalarField's and ScalarFieldTilde's |
| Operators_internal.h | |
| Pulay.h | Pulay mixing algorithm template |
| PulayParams.h | |
| Random.h | Random number generation |
| scalar.h | |
| ScalarField.h | Real and complex scalar fields in real and reciprocal space |
| ScalarFieldArray.h | Classes ScalarFieldArray, ScalarFieldTildeArray and just enough operators to enable CG w.r.t to them |
| ScalarFieldIO.h | I/O utilities for the data arrays |
| scaled.h | Template to avoid (delay) scaling operations on linear objects |
| Spline.h | Spline interpolation routines |
| string.h | STL strings and streams with case insensitive comparison |
| tensor3.h | |
| Thread.h | Utilities for threading (wrappers around std::thread) |
| Units.h | Commonly used measurement units in terms of atomic units |
| Util.h | Miscellaneous utilities |
| vector3.h | |
| VectorField.h | Generic multiplet of data arrays (and specialized to triplets for vector fields in real/reciprocal space) |
| WignerSeitz.h | |
| ► electronic | |
| BandDavidson.h | |
| BandMinimizer.h | |
| Basis.h | |
| Blip.h | |
| ColumnBundle.h | |
| ColumnBundleTransform.h | |
| common.h | |
| Control.h | |
| DOS.h | |
| Dump.h | |
| Dump_internal.h | |
| ElecInfo.h | |
| ElecMinimizer.h | |
| ElectronScattering.h | |
| ElecVars.h | |
| Energies.h | |
| Everything.h | |
| ExactExchange.h | |
| ExCorr.h | |
| ExCorr_internal.h | |
| ExCorr_internal_GGA.h | |
| ExCorr_internal_LDA.h | |
| ExCorr_internal_mGGA.h | |
| ExCorr_OrbitalDep_GLLBsc.h | |
| InverseKohnSham.h | |
| IonDynamics.h | |
| IonDynamicsParams.h | |
| IonicMinimizer.h | |
| IonInfo.h | |
| LatticeMinimizer.h | |
| matrix.h | |
| operators.h | Operators specific to the electronic code |
| operators_internal.h | |
| Polarizability.h | |
| RadialFunction.h | |
| RadialSchrodinger.h | |
| SCF.h | |
| SCFparams.h | |
| SpeciesInfo.h | |
| SpeciesInfo_internal.h | Shared GPU/CPU code for ion/pseudopotential related calculations |
| SphericalHarmonics.h | |
| symbols.h | |
| Symmetries.h | |
| VanDerWaals.h | |
| Vibrations.h | |
| ► fluid | |
| ConvCoupling.h | |
| ErfFMTweight.h | |
| Euler.h | Various Euler angle related utilities |
| Fex.h | |
| Fex_H2O_BondedVoids.h | |
| Fex_H2O_FittedCorrelations.h | |
| Fex_H2O_FittedCorrelations_internal.h | |
| Fex_LJ.h | Lennard-Jones fluids |
| Fex_ScalarEOS.h | |
| Fex_ScalarEOS_internal.h | |
| FluidComponent.h | |
| FluidMixture.h | |
| FluidSolver.h | |
| FluidSolverParams.h | |
| Fmix.h | |
| IdealGas.h | |
| IdealGasMonoatomic.h | |
| IdealGasMuEps.h | |
| IdealGasPomega.h | |
| IdealGasPsiAlpha.h | |
| LinearPCM.h | |
| MixedFMT.h | Sphere mixture functional via (optionally soft) Fundamental Measure Theory |
| MixedFMT_internal.h | |
| Molecule.h | |
| NonlinearPCM.h | |
| PCM.h | |
| PCM_internal.h | |
| S2quad.h | Quadratures on S2 used to generate quadratures on SO(3) |
| SaLSA.h | |
| SO3quad.h | Quadratures for SO(3) |
| TranslationOperator.h | |
| TranslationOperator_internal.h | |
| VDWCoupling.h | |
| ► phonon | |
| Phonon.h | |
| ► wannier | |
| Wannier.h | |
| WannierMinimizer.h | |
| WannierMinimizerFD.h | |
| WannierMinimizerRS.h | |
| config.in.h | |
1.8.11