Many-Body Ground State Test #23
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Test developed for the iDEA many-body system using the pytest library. Two electron ground state system with 'uu' or 'ud' spin configuration for Hooke's atom. Contains wo test classes,: TestShort ~ 20 seconds. TestLong ~ 5/6 mins. Tests the density, wavefunction and total energy against an analytical solution for the specific system. Example of execution for TestShort: pytest manybody.py::TestShort
Automation for many body ground state test in 'uu' and 'ud' spin configurations.
Fixed file path directory for test
Fixed error of incorrect pytest class identifier.
Install idea from repository not pip
Rename for easier identification between test classes. Cache dependencies to improve runtime performance - avoids dependencies install on each run
Comment updates, name clarification.
General code/comment clean up.
Comment alteration.
Workflow to run long form many body test manually via GitHub actions.
comment update
Name fix
JackWetherell
approved these changes
Jun 24, 2025
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I have developed a test for the many body functionality of iDEA. The test simulates a two electron ground state (k=0) system with either 'uu' or 'dd' spin configuration in an external harmonic oscillator potential with a softened interaction potential (Hooke's atom).
The test is split into two systems, the analytical test system and the iDEA test system. The program runs both systems and then tests the probability density, wavefunction and total energy against the known analytical solution to determine if they are within a user specified tolerance.
The test makes use of the pytest library. The test file, test_manybody.py, contains two test classes: TestShort and TestLong.
TestShort is designated to be ran upon push or pull requests via GitHub actions, however, it may also be initiated manually. I have hence added a .github/workflows folder to the repository containing .yml files allowing the tests to be automated. TestLong is a much more finely tuned test designed to be ran manually via the 'Actions' tab if a higher level of precision is required.