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# ChangeLog for tests/Python/ForceAnnealing/testsuite-python-forceannealing-ising.at
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# Generated by Trac 1.4.4
# Apr 8, 2025, 6:50:30 PM

Wed, 20 Jun 2018 08:21:49 GMT Frederik Heber <frederik.heber@…> [2ee2cc]
	* tests/Python/ForceAnnealing/testsuite-python-forceannealing-ising.at (modified)
	* tests/integration/StructureOptimization/testsuite-integration-structureoptimization-ethane.at (modified)
	* tests/integration/StructureOptimization/testsuite-integration-structureoptimization-methane.at (modified)
	* tests/integration/StructureOptimization/testsuite-integration-structureoptimization-water.at (modified)

	TESTS: Reactivated again all tests related to bond graph
	optimization.


Wed, 20 Jun 2018 08:21:14 GMT Frederik Heber <frederik.heber@…> [bd19c1]
	* src/Dynamics/ForceAnnealing.hpp (modified)
	* tests/Python/ForceAnnealing/post/five_carbon_test_bondgraph.data (modified)
	* tests/Python/ForceAnnealing/post/five_carbon_test_no-bondgraph.data (modified)
	* tests/Python/ForceAnnealing/testsuite-python-forceannealing-ising.at (modified)

	Capping BB update step at 0.2 and general BB stepwidth at maximum of ...


Wed, 20 Jun 2018 08:20:42 GMT Frederik Heber <frederik.heber@…> [6a5921]
	* tests/Python/ForceAnnealing/testsuite-python-forceannealing-ising.at (modified)
	* tests/integration/StructureOptimization/testsuite-integration-structureoptimization-ethane.at (modified)
	* tests/integration/StructureOptimization/testsuite-integration-structureoptimization-methane.at (modified)
	* tests/integration/StructureOptimization/testsuite-integration-structureoptimization-water.at (modified)

	TESTS: Deactivated temporarily all tests related to bond graph ...


Tue, 10 Apr 2018 06:43:31 GMT Frederik Heber <frederik.heber@…> [8450da]
	* src/Actions/MoleculeAction/ForceAnnealingAction.cpp (modified)
	* src/Dynamics/ForceAnnealing.hpp (modified)
	* tests/Python/ForceAnnealing/post/five_carbon_test_no-bondgraph.data (modified)
	* tests/Python/ForceAnnealing/testsuite-python-forceannealing-ising.at (modified)

	ForceAnnealing functions now have better readable time step ...


Tue, 10 Apr 2018 06:43:31 GMT Frederik Heber <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 <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 <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 <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 06:43:12 GMT Frederik Heber <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 ...