| Module | Source File | Description |
|---|---|---|
| AnalysisModule | AnalysisModule.F90 | Methods for analyzing the results of electronic structure calculations. |
| ChebyshevSolversModule | ChebyshevSolversModule.F90 | A Module For Computing Matrix functions based on Chebyshev polynomials. |
| CholeskyModule | CholeskySolversModule.F90 | Helper Routines for Computing The Cholesky Decomposition |
| DataTypesModule | DataTypesModule.F90 | A module to store specifications for basic data types. |
| DensityMatrixSolversModule | DensityMatrixSolversModule.F90 | A Module For Solving Quantum Chemistry Systems using Purification. |
| DMatrixModule | DMatrixModule.F90 | This module allows one to convert a sparse matrix to a dense matrix. It also |
| EigenBoundsModule | EigenBoundsModule.F90 | A module for computing estimates of the bounds of the spectrum of a matrix. |
| ErrorModule | ErrorModule.F90 | A (under development) module to do handle error passing. |
| ExponentialSolversModule | ExponentialSolversModule.F90 | A Module For Computing Matrix Exponentials and Logarithms. |
| GemmTasksModule | GemmTasksModule.F90 | This module contains some enumerators which name the tasks for Gemm. |
| GeometryOptimizationModule | GeometryOptimizationModule.F90 | A Module For Geometry Optimization |
| HermiteSolversModule | HermiteSolversModule.F90 | A module for computing matrix functions based on Hermite polynomials. |
| InverseSolversModule | InverseSolversModule.F90 | A Module For Computing The Inverse of a Matrix. |
| LinearSolversModule | LinearSolversModule.F90 | Solve the matrix equation AX = B |
| LoadBalancerModule | LoadBalancerModule.F90 | Module for load balancing the matrix multiplication calculation. |
| LoggingModule | LoggingModule.F90 | A module for writing data to the log file. |
| MatrixConversionModule | MatrixConversionModule.F90 | This module contains helper routines for converting an NTPoly matrix to data structures used in other programs. |
| MatrixMapsModule | MatrixMapsModule.F90 | A Module For Simplfiying Per Element Operations on Matrices. |
| MatrixMarketModule | MatrixMarketModule.F90 | This module contains helpers for processing matrix market files. |
| MatrixMemoryPoolModule | MatrixMemoryPoolModule.F90 | A module for handling scratch memory for matrix multiplication. The purpose of this module is to avoid having to allocate memory on the heap during a matrix multiply, and to manage the underlying hash table. |
| MatrixReduceModule | MatrixReduceModule.F90 | Module for reducing matrices across processes. |
| NTMPIModule | NTMPIModule.F90 | This module wraps the MPI include statement because on certain platforms just writing "USE MPI" does not work. |
| PermutationModule | PermutationModule.F90 | Module for load balancing the matrix multiplication calculation. |
| PMatrixMemoryPoolModule | PMatrixMemoryPoolModule.F90 | A module for handling scratch memory for distributed matrix multiplication. |
| PolynomialSolversModule | PolynomialSolversModule.F90 | A Module For Computing General Matrix Polynomials. |
| ProcessGridModule | ProcessGridModule.F90 | A module to manage the process grid. |
| PSMatrixAlgebraModule | PSMatrixAlgebraModule.F90 | A Module For Performing Distributed Sparse Matrix Algebra Operations. |
| PSMatrixModule | PSMatrixModule.F90 | A Module For Performing Distributed Sparse Matrix Operations. |
| RootSolversModule | RootSolversModule.F90 | A Module For Computing General Matrix Roots. |
| SignSolversModule | SignSolversModule.F90 | A Module For Computing The Matrix Sign Function. |
| SMatrixAlgebraModule | SMatrixAlgebraModule.F90 | A module for performing linear algebra using sparse matrices. |
| SMatrixModule | SMatrixModule.F90 | A module for handling locally stored CSR matrices. |
| SolverParametersModule | SolverParametersModule.F90 | A Module For Storing The Parameters For Iterative Solvers. |
| SquareRootSolversModule | SquareRootSolversModule.F90 | A Module For Computing The Square Root of a Matrix. |
| SVectorModule | SVectorModule.F90 | A module for handling compressed vectors. Compressed vectors are stored in two lists. The first is a list of indices, the second a list of values. |
| TimerModule | TimerModule.F90 | A module to do timings. |
| TrigonometrySolversModule | TrigonometrySolversModule.F90 | A Module For Computing Trigonometric functions of a Matrix. |
| TripletListModule | TripletListModule.F90 | A Module For Storing Lists of Triplets. |
| TripletModule | TripletModule.F90 | A Module For Storing Triplets of Integer, Integer, Value. |