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AlmaBTE
1.3
A solver of the space- and time-dependent Boltzmann transport equation for phonons
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▼Nalma | |
▼Nanalytic1D | |
CBasicProperties_calculator | Class for computing basic thermal properties (kappa, Cv, diffusivity) and cumulative functions (resolved for MFP, energy, etc.) along a given transport direction |
CMSD_calculator_Laplace | Class for computing the exact analytical RTA solution for mean square thermal energy displacement |
CMSD_calculator_RealTime | Class for computing the exact analytical RTA solution for mean square thermal energy displacement in time domain |
Cpsi_calculator | Class for computing the RTA propagator function psi(xi) of a medium |
CSPR_calculator_FourierLaplace | Class for computing the exact analytical RTA single pulse energy density response of the infinite bulk medium in Fourier-Laplace domain |
CSPR_calculator_RealSpace | Class for computing the approximate analytical RTA single pulse energy density response in real space at a given time |
▼Naux_cubic | |
CCubic_segment | Objects of this class perform rational integrals of the kind found when approximating bands by piecewise cubic polynomials to obtain Green's functions in 1D |
CAtom_pair | POD class representing a pair of atoms - one in unit cell (0, 0, 0) the other in an arbitrary unit cell cj, and the image of the latter in a number of unit cells cjp |
CBE_derivative_distribution | Objects of this class allow us to sample from a discrete distribution over a q-point grid with a PMF proportional to cv / tau, where cv is the contribution to the specific heat and tau is the relaxation time |
CContainer_comparator | Comparator function object template for a container of comparable objects |
CCrystal_structure | Hold information about a crystal structure |
CD_particle | Each object of this class represents a deviational particle in the simulation |
CDielectric_parameters | Hold information about the polarization properties of the structure |
CDiffuse_mismatch_distribution | Diffuse mismatch distribution |
CDynamical_matrix_builder | Factory of Dynamical_matrix objects |
CElastic_distribution | |
CElastic_interface_distribution | Objects of this class allow us to simulate completely diffusive interfaces between two media |
Cexception | Base class for all exceptions in ALMA |
CGamma_grid | Objects of this class represent a regular grid with the Gamma point in one corner |
CGaussian_for_DOS | Objects of this class handle the contribution of a mode to the phonon DOS |
CGeneral_harmonic_ifcs | Hold information about the harmonic interactions between atoms |
Cgeometry_error | Exception related to an inconsistent geometric result |
CGreen1d_factory | Objects of this class enable the calling code to compute 1d Green's functions along particular directions in a bulk material |
CGrid_distribution | Base class for discrete distributions over a q-point grid |
Cinput_error | Exception related to the contents of an input file |
CIsothermal_wall_distribution | Objects of this class allow us to sample from a discrete distribution over a q-point grid with a PMF corresponding to an isothermal wall of given orientation and equilibrium temperature |
CIsotope | Plain old data class containing the mass and abundance of one isotope |
CMin_keeper | Convenience class for updating a minimum value and keeping track of all the objects associated to it |
CNabla_T_distribution | Objects of this class allow us to sample from a discrete distribution over a q-point grid with a PMF proportional to one component of the group velocity and to each mode's contribution to the specific heat |
Cplanar_source_distribution | Planar_source_distribution Emission probability for outgoing modes is proportional to heat capacity * normal velocity |
CScattering_subgroup | POD class describing a subgroup of the "/scattering" group of an HDF5 file |
CShengBTE_iterator | Class implementing an iterative solution to the BTE following the scheme devised by Omini and Sparavigna |
CSpectrum_at_point | POD class that holds all the information about the harmonic properties of the system at a particular q point |
CSupercell_index | Phonopy-style atom index represented both as a single integer and as four indices |
CSupercell_index_builder | Builder for Supercell_index objects sharing the same na, nb, nc |
CSuperlattice_structure | POD class containing the information about a binary superlattice |
CSymmetry_operations | Objects of this class hold a subset of the information provided by spg_get_dataset() |
CThirdorder_ifcs | Class representing the anharmonic (third-order) interaction between two atoms atoms |
CThreeph_process | Representation of a three-phonon process |
CTransformed_pair | POD class used to hold a pair of atom indices and a symmetry operation |
CTwoph_process | Representation of a elastic two-phonon process |
Cvalue_error | Exception related to the parameters passed to a function |
CVirtual_element | Class whose objects describe a virtual "element" in an alloy, i.e., a statistical mixture of chemical elements |
▼Nstd | STL namespace |
Chash< std::array< T, S > > | Trivial implementation of std::hash for arrays, required to create an unordered_set of arrays |
Calloy_functor | |
Csheng_allocations | Data structure containing the information in an allocations namelist from ShengBTE |
Csheng_flags | Data structure containing the information in a flags namelist from ShengBTE |
Csheng_parameters | Data structure containing the information in a parameters namelist from ShengBTE |
Csinglecrystal_functor | |
CSteady_1d_simulator | Class that helps run simulations of general 1D structures sandwiched between two thermal reservoirs, in the steady-state regime |