Programs | |
Util namespace | Group of modules containing classes in the Util namespace |
Accumulators | Statistical operations (e.g., averages or autocorrelations) on a data sequence |
Serialization | Serialization of C++ objects to/from file or memory |
Container Templates | Container and iterator class templates |
Object Arrays | Array containers that store objects by value, and related iterators |
Pointer Arrays | Array containers that store pointers to objects, and related iterators |
Matrix Containers | Two-dimensional array containers that store by objects value |
Linked List | A simple linked list implementation and associated iterator |
Iterators | Iterators for use with particular containers |
Output Format | Utilities to simplify formatted C++ stream output |
Mathematics | Mathematical constants and utilities |
Miscellaneous Utilities | Miscellaneous utility classes and functions |
MPI Utilities | MPI (message passing interface) utilities |
Managers and Factories | A Manager is a container for items with a common base class |
Parameter File IO | Classes used to read parameters from a parameter file |
Random | Random numbers and processes |
Signals (Observer Pattern) | Classes used to implement the observer design pattern |
Space (Vector, Tensor) | Classes that represent spatial Vectors, Tensors, etc |
Xml Tag Parsers | Classes to verify and parse XML markup tags |
Pscf namespace | Polymer field theory (SCFT and FTS) |
Pscf Common | Names defined directly in namespace Pscf, rather than a sub-namespace |
Chemical Structure | Classes that describe chemical structure of polymers and solvents |
CUDA Utilities | Utility functions and classes for CUDA programs |
ThreadArray | Management of GPU resources and setting of execution configurations |
ThreadMesh | Management of multidimensional GPU thread execution configurations |
Environment | Templates and tools for imposing masks and external fields |
Flory-Huggins Theory | Flory-Huggins theory of spatially homogeneous mixtures |
Interactions | Classes that specify a model for excess or interaction free energy |
Iterator Tools | Templates and tools for constructing iterator classes |
Mathematics | Miscellaneous mathematical utility classes |
Complex Arithmetic | Declarations of function templates for complex arithmetic using an unspecified complex data type |
Spatial Mesh | Classes to define a regular grid or mesh |
Solver Templates | Templates for "solver" classes that compute statistical mechanical properties of a gas of non-interacting molecules |
Sweep Template | Template for classes that solve SCFT for a sequence of parameters |
Pscf::Prdc - Periodic Systems | Periodic fields and crystallography (namespace Pscf::Prdc) |
Fields and FFT (CPU) | Fields and FFT plan for use in CPU code, based around the FFTW fast Fourier transform library |
Complex Arithmetic (CPU) | Typdedefs and functions for complex arithmetic using the complex type fftw_complex defined by FFTW |
Crystallography | Classes that describe crystallographic information |
Fields and FFT (CUDA) | Fields and FFT plan for use in CUDA code, based around the cufft GPU-accelerated fast Fourier transform library |
Complex Arithmetic (GPU) | Typdedefs and functions for complex arithmetic using the complex type used in Cuda GPU code that interfaces with cufft |
Environment | Templates for imposing masks and external fields in periodic systems |
Field Utilities | Field IO operations and field containers for periodic systems |
Pscf::R1d - Real 1D fields | One-dimensional SCFT (namespace Pscf::R1d) |
Domain | Spatial domain for one-dimensional (1D) finite difference solvers |
Iterators | Iterators for use with one-dimensional (1D) finite difference solvers |
Solvers | Classes that solve modified diffusion equations using a one-dimensional (1D) finite difference discretization |
Sweep | Sweep (continuation) classes |
Pscf::Rpc - Real Periodic Fields (CPU) | SCFT and PS-FTS with real periodic fields on a CPU (namespace Pscf::Rpc) |
Environment | Classes for imposing masks and external fields in periodic systems (CPU) |
Fields | Field containers, FieldIo and Domain classes |
Field Theoretic Simulation (FTS) | Classes for performing field theoretic simulations in a partial saddle-point approximation (PS-FTS) |
Analyzers | Classes that implement statistical analysis operations for field theoretic simulations in a partial saddle-point approximation |
Brownian Dynamics | Brownian dynamics algorithms for field theoretic simulations in a partial saddle-point approximation (PS-FTS) |
Compressors | Compressors are iterators that adjust the Langrange multiplier field so to satisfy the incompressibility constraint |
Monte Carlo | Monte Carlo (MC) sampling algorithms for field theoretic MC simulations in a partial saddle-point approximation (PS-FTS) |
Perturbations | Classes that define additive perturbations to the standard field-theoretic Hamiltonian |
Parameter Ramps | Classes that apply continuous changes to model parameters during a simulation |
Trajectory Readers | Classes that read trajectory files in various file formats for post-process statistical analysis |
Self-Consistent Field Theory (SCFT) | Classes used only for performing SCFT calculations |
Iterators | Iterators for solving the nonlinear SCFT self-consistency equations |
Sweep | Classes for performing SCFT sweeps in parameter space |
Solvers | Classes that solve the modified diffusion equation (MDE) |
Pscf::Rpg - Real Periodic Fields (GPU) | SCFT and PS-FTS with real periodic fields on a GPU (namespace Pscf::Rpg) |
Environment | Classes for imposing masks and external fields in periodic systems (GPU) |
Fields | Field containers, FieldIo and Domain classes |
Field Theoretic Simulation (FTS) | Classes for performing a field theoretic simulation in a partial saddle-point approximation (PS-FTS) with GPU acceleration |
Analyzers | Classes that implement statistical analysis operations for field theoretic simulations in a partial saddle-point approximation |
Brownian Dynamics | Classes that implement Brownian dynamics (BD) algorithms for field theoretic simulations in a partial saddle-point approximation (PS-FTS) |
Compressors | Compressors are iterators that adjust the Langrange multiplier field so to satisfy the incompressibility constraint |
Monte Carlo | Classes that implement Monte Carlo (MC) algorithms for field theoretic MC simulations in a partial saddle-point approximation (PS-FTS) |
Perturbations | Classes that implement additive perturbations to the standard field-theoretic Hamiltonian |
Parameter Ramps | Classes that apply continuous changes to model parameters during a simulation |
Trajectory Readers | Classes that read trajectory files for post-simulation analysis in different file formats |
Self-Consistent Field Theory (SCFT) | Classes used only for SCFT calculations with GPU acceleration |
Iterators | Classes for iteratively solving the nonlinear self-consistent field (SCF) equations of SCFT |
Sweep | Classes for performing an SCFT sweep along a line in parameter space |
Solvers | Classes that solve modified diffusion equations for periodic microstrucures using a pseudo-spectral algorithm |
Unit Test Framework | A framework for constructing unit tests for other classes |