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![]() ![]() ![]() | Provides the base class and various helpers for defining commands in the input file |
![]() ![]() ![]() | Provides base class for defining the minimize commands |
![]() ![]() ![]() | Helper class for parsing command lines in input file |
![]() ![]() ![]() | Functions for parsing JDFTx input files |
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![]() ![]() ![]() | Commonly used BLAS-like routines |
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![]() ![]() ![]() | Coulomb interactions in various geometries |
![]() ![]() ![]() | Shared inline functions / internal declarations for Coulomb framework |
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![]() ![]() ![]() | Represent components of the (free) energy |
![]() ![]() ![]() | Common utility functions/macros for the gpu kernels and launchers in the .cu files |
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![]() ![]() ![]() | HDF5 helper routines |
![]() ![]() ![]() | Miscellaneous utilities relating to properties of Bravais Lattices |
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![]() ![]() ![]() | Base class and operators for managed-memory objects |
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![]() ![]() ![]() | 3x3 matrices with CPU and GPU operators |
![]() ![]() ![]() | Nonlinear minimization and linear solve templates |
![]() ![]() ![]() | Helper classes for MPI parallelization |
![]() ![]() ![]() | Operators on ScalarField's and ScalarFieldTilde's |
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![]() ![]() ![]() | Complex numbers with CPU and GPU operators |
![]() ![]() ![]() | Real and complex scalar fields in real and reciprocal space |
![]() ![]() ![]() | Variable length arrays of ScalarField and ScalarFieldTildeArray, and their operators |
![]() ![]() ![]() | I/O utilities for the data arrays |
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![]() ![]() ![]() | Spline interpolation routines |
![]() ![]() ![]() | STL strings and streams with case insensitive comparison |
![]() ![]() ![]() | Symmetric traceless tensor with CPU and GPU operators |
![]() ![]() ![]() | Utilities for threading (wrappers around std::thread) |
![]() ![]() ![]() | Commonly used measurement units in terms of atomic units |
![]() ![]() ![]() | Miscellaneous utilities |
![]() ![]() ![]() | 3-vector with CPU and GPU operators |
![]() ![]() ![]() | Fixed-length multiplet of ScalarField and ScalarFieldTilde, and specialization to vector fields (3-component) |
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![]() ![]() ![]() | Various Euler angle related utilities |
![]() ![]() ![]() | Lennard-Jones fluids |
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![]() ![]() ![]() | Sphere mixture functional via (optionally soft) Fundamental Measure Theory |
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