A test class for the distributed matrix module. More...
Inheritance diagram for UnitTests.testChemistry.TestChemistry:
Public Member Functions | |
| def | setUpClass (self) |
| set up all of the tests More... | |
| def | setUp (self) |
| set up an individual test More... | |
| def | check_result (self) |
| def | check_full (self) |
| def | test_trs2 (self) |
| Test our ability to compute the density matrix with TRS2. More... | |
| def | test_trs4 (self) |
| Test our ability to compute the density matrix with TRS4. More... | |
| def | test_HPCP (self) |
| Test our ability to compute the density matrix with HPCP. More... | |
| def | test_HPCPPlus (self) |
| Test our ability to compute the density matrix with HPCP. More... | |
| def | test_cg (self) |
| Test our ability to compute the density matrix with conjugate gradient. More... | |
Public Attributes | |
| my_rank | |
| solver_parameters | |
| hamiltonian | |
| overlap | |
| density | |
| nel | |
| CheckMat | |
Static Public Attributes | |
| list | parameters = [] |
| int | CheckMat = 0 |
| int | my_rank = 0 |
Detailed Description
A test class for the distributed matrix module.
Member Function Documentation
◆ setUp()
| def UnitTests.testChemistry.TestChemistry.setUp | ( | self | ) |
set up an individual test
- Parameters
-
[in] self pointer
◆ setUpClass()
| def UnitTests.testChemistry.TestChemistry.setUpClass | ( | self | ) |
set up all of the tests
- Parameters
-
[in] self pointer.
◆ test_cg()
| def UnitTests.testChemistry.TestChemistry.test_cg | ( | self | ) |
Test our ability to compute the density matrix with conjugate gradient.
- Parameters
-
[in] self pointer.
◆ test_HPCP()
| def UnitTests.testChemistry.TestChemistry.test_HPCP | ( | self | ) |
Test our ability to compute the density matrix with HPCP.
- Parameters
-
[in] self pointer.
◆ test_HPCPPlus()
| def UnitTests.testChemistry.TestChemistry.test_HPCPPlus | ( | self | ) |
Test our ability to compute the density matrix with HPCP.
- Parameters
-
[in] self pointer.
◆ test_trs2()
| def UnitTests.testChemistry.TestChemistry.test_trs2 | ( | self | ) |
Test our ability to compute the density matrix with TRS2.
- Parameters
-
[in] self pointer.
◆ test_trs4()
| def UnitTests.testChemistry.TestChemistry.test_trs4 | ( | self | ) |
Test our ability to compute the density matrix with TRS4.
- Parameters
-
[in] self pointer.
The documentation for this class was generated from the following file:
- /Users/dawson/Documents/SparseMatrix/NTPoly/UnitTests/testChemistry.py
