|
| |
| |
| file | Coulomb.h |
| |
| file | Coulomb_ExchangeEval.h |
| |
| file | Coulomb_internal.h |
| | Shared inline functions / internal declarations for Coulomb framework.
|
| |
| file | CoulombIsolated.h |
| |
| file | CoulombKernel.h |
| |
| file | CoulombPeriodic.h |
| |
| file | CoulombSlab.h |
| |
| file | CoulombWire.h |
| |
| file | EnergyComponents.h |
| | Represent components of the (free) energy.
|
| |
| file | GpuKernelUtils.h |
| | Common utility functions/macros for the gpu kernels and launchers in the .cu files.
|
| |
| file | GpuUtil.h |
| |
| file | GridInfo.h |
| | Geometry of the simulation grid.
|
| |
| file | H5io.h |
| | HDF5 helper routines.
|
| |
| file | LatticeUtils.h |
| |
| file | LoopMacros.h |
| |
| file | ManagedMemory.h |
| |
| file | matrix3.h |
| |
| file | Minimize.h |
| | Nonlinear minimization templates.
|
| |
| file | Minimize_lBFGS.h |
| |
| file | Minimize_linmin.h |
| |
| file | MinimizeParams.h |
| |
| file | MPIUtil.h |
| |
| file | Operators.h |
| | Operators on ScalarField's and ScalarFieldTilde's.
|
| |
| file | Operators_internal.h |
| |
| file | Pulay.h |
| | Pulay mixing algorithm template.
|
| |
| file | PulayParams.h |
| |
| file | Random.h |
| | Random number generation.
|
| |
| file | scalar.h |
| |
| file | ScalarField.h |
| | Real and complex scalar fields in real and reciprocal space.
|
| |
| file | ScalarFieldArray.h |
| | classes ScalarFieldArray, ScalarFieldTildeArray and just enough operators to enable CG w.r.t to them
|
| |
| file | ScalarFieldIO.h |
| | I/O utilities for the data arrays.
|
| |
| file | scaled.h |
| | Template to avoid (delay) scaling operations on linear objects.
|
| |
| file | Spline.h |
| | Spline interpolation routines.
|
| |
| file | string.h |
| | STL strings and streams with case insensitive comparison.
|
| |
| file | tensor3.h |
| |
| file | Thread.h |
| | Utilities for threading (wrappers around std::thread)
|
| |
| file | Units.h |
| | Commonly used measurement units in terms of atomic units.
|
| |
| file | Util.h |
| | Miscellaneous utilities.
|
| |
| file | vector3.h |
| |
| file | VectorField.h |
| | Generic multiplet of data arrays (and specialized to triplets for vector fields in real/reciprocal space)
|
| |
| file | WignerSeitz.h |
| |
