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JDFTx
1.7.0
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JDFTx
1.7.0
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| ▼ 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 |
| Blip.h | |
| Coulomb.h | Coulomb interactions in various geometries |
| 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 | |
| H5io.h | HDF5 helper routines |
| LatticeUtils.h | Miscellaneous utilities relating to properties of Bravais Lattices |
| LoopMacros.h | |
| ManagedMemory.h | Base class and operators for managed-memory objects |
| matrix.h | |
| matrix3.h | 3x3 matrices with CPU and GPU operators |
| Minimize.h | Nonlinear minimization and linear solve templates |
| MPIUtil.h | Helper classes for MPI parallelization |
| Operators.h | Operators on ScalarField's and ScalarFieldTilde's |
| RadialFunction.h | |
| scalar.h | Complex numbers with CPU and GPU operators |
| ScalarField.h | Real and complex scalar fields in real and reciprocal space |
| ScalarFieldArray.h | Variable length arrays of ScalarField and ScalarFieldTildeArray, and their operators |
| ScalarFieldIO.h | I/O utilities for the data arrays |
| SphericalHarmonics.h | |
| Spline.h | Spline interpolation routines |
| string.h | STL strings and streams with case insensitive comparison |
| tensor3.h | Symmetric traceless tensor with CPU and GPU operators |
| 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 | 3-vector with CPU and GPU operators |
| VectorField.h | Fixed-length multiplet of ScalarField and ScalarFieldTilde, and specialization to vector fields (3-component) |
| ▼ electronic | |
| ColumnBundle.h | |
| Control.h | |
| Dump.h | |
| Dump_internal.h | |
| DumpBGW_internal.h | |
| ElecInfo.h | |
| ElecMinimizer.h | |
| Energies.h | |
| ExCorr.h | |
| ExCorr_internal.h | |
| ExCorr_internal_GGA.h | |
| ExCorr_internal_LDA.h | |
| ExCorr_internal_mGGA.h | |
| IonicDynamicsParams.h | |
| IonicMinimizer.h | |
| IonInfo.h | |
| LatticeMinimizer.h | |
| RadialSchrodinger.h | |
| SCF.h | |
| SpeciesInfo_internal.h | |
| symbols.h | |
| ▼ fluid | |
| Euler.h | Various Euler angle related utilities |
| Fex_LJ.h | Lennard-Jones fluids |
| Fex_ScalarEOS.h | |
| Fex_ScalarEOS_internal.h | |
| FluidSolver.h | |
| FluidSolverParams.h | |
| MixedFMT.h | Sphere mixture functional via (optionally soft) Fundamental Measure Theory |
| MixedFMT_internal.h | |
| NonlinearPCM.h | |
| PCM_internal.h | |
| S2quad.h | |
| TranslationOperator.h | |
| ▼ phonon | |
| Phonon.h | |
| ▼ wannier | |
| Wannier.h | |
| WannierMinimizer.h |