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# ChangeLog for tests/regression/Molecules
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# Generated by Trac 1.4.4
# Jan 2, 2025, 4:53:08 PM

Sun, 30 May 2010 18:28:14 GMT Frederik Heber <heber@…> [d6d6c1]
	* tests/regression/Analysis/5/pre/test.conf (added)
	* tests/regression/Molecules/8/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-m' (principal axis system) to testsuite.


Sun, 30 May 2010 17:29:38 GMT Frederik Heber <heber@…> [eddea2]
	* src/molecule.hpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/vector.cpp (modified)
	* tests/regression/Molecules/7/post/test.conf (added)
	* tests/regression/Molecules/7/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-T' (periodic translation) to testsuite.

	- BUGFIX: ...


Sun, 30 May 2010 16:55:04 GMT Frederik Heber <heber@…> [5d12d2]
	* tests/regression/Molecules/6/post/test.conf (added)
	* tests/regression/Molecules/6/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-t' (translation) to testsuite.


Sun, 30 May 2010 16:09:06 GMT Frederik Heber <heber@…> [c7a473]
	* src/atom_trajectoryparticle.cpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* tests/regression/Molecules/5/pre/test.conf (added)
	* tests/regression/Molecules/5/pre/test.forces (added)
	* tests/regression/testsuite.at (modified)

	Added cased '-P' (force integration) to testsuite.

	- this is ...


Sun, 30 May 2010 15:38:38 GMT Frederik Heber <heber@…> [f8f14d]
	* src/builder.cpp (modified)
	* tests/regression/Molecules/4/post/test.conf (added)
	* tests/regression/Molecules/4/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-L' (linear interpolation) to testsuite.

	- this just ...


Sun, 30 May 2010 15:30:32 GMT Frederik Heber <heber@…> [13bfeb]
	* tests/regression/Molecules/3/post/test.ekin (added)
	* tests/regression/Molecules/3/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-S' (storing temperature) to testsuite.

	- made three ...


Sun, 30 May 2010 15:24:29 GMT Frederik Heber <heber@…> [72e36f]
	* tests/regression/Molecules/2/post/test.adj (added)
	* tests/regression/Molecules/2/post/test.dbond (added)
	* tests/regression/Molecules/2/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added cases '-j' (storing bonds) and '-J' (storing adjacency) to ...


Sun, 30 May 2010 15:18:50 GMT Frederik Heber <heber@…> [c68c90]
	* src/builder.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* tests/regression/Molecules/1/pre/test.conf (added)
	* tests/regression/Molecules/1/pre/test.dbond (added)
	* tests/regression/testsuite.at (modified)

	Added case '-A' (parsing bonds) to testsuite.

	- ...