# # ChangeLog for tests/Python/ForceAnnealing # # Generated by Trac 1.4.4 # Apr 11, 2025, 5:54:57 PM Tue, 10 Apr 2018 06:43:31 GMT Frederik Heber [90ece9] * tests/Python/ForceAnnealing/post/five_carbon_test_bondgraph.data (modified) * tests/Python/ForceAnnealing/post/five_carbon_test_no-bondgraph.data (modified) * tests/Python/ForceAnnealing/post/two_carbon_test_bondgraph.data (modified) * tests/Python/ForceAnnealing/post/two_carbon_test_no-bondgraph.data (modified) * tests/Python/ForceAnnealing/testsuite-python-forceannealing-ising.at (modified) TESTFIX: Fixes to Python tests due to changed anneal() and modified ... Tue, 10 Apr 2018 06:43:31 GMT Frederik Heber [441d40] * tests/Python/ForceAnnealing/post/five_carbon_test_bondgraph.data (modified) * tests/Python/ForceAnnealing/post/two_carbon_test_bondgraph.data (modified) * tests/Python/ForceAnnealing/testsuite-python-forceannealing-ising.at (modified) TESTFIX: bondgraph annealing is working better than expected. Tue, 10 Apr 2018 06:43:30 GMT Frederik Heber [038ccd] * tests/Python/ForceAnnealing/post/five_carbon_test_no-bondgraph.data (modified) * tests/Python/ForceAnnealing/post/two_carbon_test_no-bondgraph.data (modified) * tests/Python/ForceAnnealing/testsuite-python-forceannealing-ising.at (modified) * tests/regression/Molecules/ForceAnnealing/post/test.conf (modified) * tests/regression/Molecules/ForceAnnealing/testsuite-molecules-force-annealing.at (modified) TESTFIX: Needed to change ForceAnnealing Python and regression test ... Tue, 10 Apr 2018 06:43:30 GMT Frederik Heber [be729b] * src/Dynamics/ForceAnnealing.hpp (modified) * tests/Python/ForceAnnealing/testsuite-python-forceannealing-ising.at (modified) * tests/regression/Molecules/ForceAnnealing/testsuite-molecules-force-annealing.at (modified) ForceAnnealing::anneal() now only once reduces deltat. - TESTFIX: ... Tue, 10 Apr 2018 06:43:30 GMT Frederik Heber [77d0cd] * src/Dynamics/ForceAnnealing.hpp (modified) * tests/Python/ForceAnnealing/post/five_carbon_test_no-bondgraph.data (modified) ForceAnnealing now uses BondVectors to optimize the structure from ... Tue, 10 Apr 2018 06:43:12 GMT Frederik Heber [075357] * tests/Python/ForceAnnealing/post/five_carbon_test_bondgraph.data (added) * tests/Python/ForceAnnealing/post/five_carbon_test_no-bondgraph.data (added) * tests/Python/ForceAnnealing/post/two_carbon_test_bondgraph.data (added) * tests/Python/ForceAnnealing/post/two_carbon_test_no-bondgraph.data (added) * tests/Python/ForceAnnealing/pre/ising_model_chain.py (added) * tests/Python/ForceAnnealing/testsuite-python-forceannealing-ising.at (added) * tests/Python/Makefile.am (modified) * tests/Python/numpy_check.py (added) * tests/Python/testsuite.at (modified) TEST: Adding Python test on ForceAnnealing using an Ising model with ...