# # ChangeLog for tests/regression/testsuite.at # # Generated by Trac 1.4.4 # Mar 17, 2025, 11:39:20 PM Thu, 16 Dec 2010 17:32:22 GMT Frederik Heber <heber@…> [512f85] * tests/regression/Makefile.am (modified) * tests/regression/Selection/1/post/allatoms.xyz (deleted) * tests/regression/Selection/Atoms/1/post/allatoms.xyz (added) * tests/regression/Selection/Atoms/1/post/id0_missing.xyz (added) * tests/regression/Selection/Atoms/1/pre/box.xyz (moved) * tests/regression/Selection/Atoms/2/post/allatomsinsidecuboid.xyz (added) * tests/regression/Selection/Atoms/2/post/allatomsoutsidecuboid.xyz (added) * tests/regression/Selection/Atoms/2/post/box.xyz (added) * tests/regression/Selection/Atoms/2/post/empty.xyz (added) * tests/regression/Selection/Atoms/2/pre/box.xyz (added) * tests/regression/Selection/Atoms/3/post/allatomsinsidesphere.xyz (added) * tests/regression/Selection/Atoms/3/post/allatomsoutsidesphere.xyz (added) * tests/regression/Selection/Atoms/3/post/empty.xyz (added) * tests/regression/Selection/Atoms/3/post/inversesphere.xyz (added) * tests/regression/Selection/Atoms/3/post/sphere.xyz (added) * tests/regression/Selection/Atoms/3/post/test.xyz (added) * tests/regression/Selection/Atoms/3/pre/box.xyz (added) * tests/regression/Selection/Atoms/4/post/empty.xyz (added) * tests/regression/Selection/Atoms/4/post/molecule0.xyz (added) * tests/regression/Selection/Atoms/4/post/molecule1.xyz (added) * tests/regression/Selection/Atoms/4/pre/test.xyz (added) * tests/regression/Selection/Atoms/5/post/test-Be_missing.xyz (added) * tests/regression/Selection/Atoms/5/post/test-H_missing.xyz (added) * tests/regression/Selection/Atoms/5/post/test.xyz (added) * tests/regression/Selection/Atoms/5/pre/test.xyz (added) * tests/regression/Selection/Atoms/6/post/empty.xyz (added) * tests/regression/Selection/Atoms/6/post/id0_missing.xyz (added) * tests/regression/Selection/Atoms/6/post/id0_present.xyz (added) * tests/regression/Selection/Atoms/6/post/id1_missing.xyz (added) * tests/regression/Selection/Atoms/6/post/id1_present.xyz (added) * tests/regression/Selection/Atoms/6/post/id2_missing.xyz (added) * tests/regression/Selection/Atoms/6/post/id2_present.xyz (added) * tests/regression/Selection/Atoms/6/post/id3_missing.xyz (added) * tests/regression/Selection/Atoms/6/post/id3_present.xyz (added) * tests/regression/Selection/Atoms/6/post/id4_missing.xyz (added) * tests/regression/Selection/Atoms/6/post/id4_present.xyz (added) * tests/regression/Selection/Atoms/6/post/id5_missing.xyz (added) * tests/regression/Selection/Atoms/6/post/id5_present.xyz (added) * tests/regression/Selection/Atoms/6/post/id6_missing.xyz (added) * tests/regression/Selection/Atoms/6/post/id6_present.xyz (added) * tests/regression/Selection/Atoms/6/post/id7_missing.xyz (added) * tests/regression/Selection/Atoms/6/post/id7_present.xyz (added) * tests/regression/Selection/Atoms/6/pre/test.xyz (added) * tests/regression/Selection/Atoms/7/post/id0_missing.xyz (added) * tests/regression/Selection/Atoms/7/pre/box.xyz (added) * tests/regression/Selection/Atoms/testsuite-selection-all-atoms.at (added) * tests/regression/Selection/Atoms/testsuite-selection-atom-by-id.at (added) * tests/regression/Selection/Atoms/testsuite-selection-atoms-by-element.at (added) * tests/regression/Selection/Atoms/testsuite-selection-atoms-inside-cuboid.at (added) * tests/regression/Selection/Atoms/testsuite-selection-atoms-inside-sphere.at (added) * tests/regression/Selection/Atoms/testsuite-selection-atoms-of-molecule.at (added) * tests/regression/Selection/Atoms/testsuite-selection-clear-atoms.at (added) * tests/regression/Selection/testsuite-selection.at (added) * tests/regression/testsuite-selection.at (deleted) * tests/regression/testsuite.at (modified) Added regression test for each SelectionAction on atoms. - Moved ... Thu, 16 Dec 2010 17:32:22 GMT Frederik Heber <heber@…> [17c1a8] * tests/regression/Makefile.am (modified) * tests/regression/Selection/1/post/allatoms.xyz (added) * tests/regression/Selection/1/pre/box.xyz (added) * tests/regression/testsuite-selection.at (added) * tests/regression/testsuite.at (modified) Added regression test for SelectionAction to testsuite. - so far ... Tue, 17 Aug 2010 12:28:29 GMT Ralf Wildenhues <wildenhues@…> [f30490] * configure.ac (modified) * tests/regression/testsuite.at (modified) Enable colored testsuite output if available. * configure.ac: ... Sun, 30 May 2010 20:55:12 GMT Frederik Heber <heber@…> [8c574b] * tests/regression/testsuite (added) * tests/regression/testsuite-analysis.at (added) * tests/regression/testsuite-domain.at (added) * tests/regression/testsuite-filling.at (added) * tests/regression/testsuite-fragmentation.at (added) * tests/regression/testsuite-graph.at (added) * tests/regression/testsuite-molecules.at (added) * tests/regression/testsuite-simple_configuration.at (added) * tests/regression/testsuite-specifics.at (added) * tests/regression/testsuite-standard_options.at (added) * tests/regression/testsuite-tesselation.at (added) * tests/regression/testsuite.at (modified) Split up testsuite into several at-scripts. - the testsuite has ... Sun, 30 May 2010 19:40:32 GMT Frederik Heber <heber@…> [afd01c] * tests/regression/Domain/6/post/test-x.conf (added) * tests/regression/Domain/6/post/test-y.conf (added) * tests/regression/Domain/6/post/test-z.conf (added) * tests/regression/Domain/6/post/test.conf (added) * tests/regression/Domain/6/pre/test.conf (added) * tests/regression/testsuite.at (modified) Added case '-d' (duplicate box) to testsuite. Sun, 30 May 2010 19:05:43 GMT Frederik Heber <heber@…> [746c57] * tests/regression/Filling/2/pre/test.conf (added) * tests/regression/testsuite.at (modified) Added case '-u' (suspend in water) to testsuite. - this is broken ... 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 17:31:15 GMT Frederik Heber <heber@…> [8048a4] * tests/regression/Domain/5/post/test.conf (added) * tests/regression/Domain/5/pre/test.conf (added) * tests/regression/testsuite.at (modified) Added case '-s' (scaling box) 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 16:51:45 GMT Frederik Heber <heber@…> [9b7db1] * src/builder.cpp (modified) * tests/regression/Simple_configuration/8/post/test.conf (added) * tests/regression/Simple_configuration/8/pre/test.conf (added) * tests/regression/testsuite.at (modified) Added case '-R' (removing atoms outside of sphere) 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. - ... Sun, 30 May 2010 14:46:39 GMT Frederik Heber <heber@…> [1325ba] * tests/regression/Filling/1/post/test.conf (added) * tests/regression/Filling/1/pre/test.conf (added) * tests/regression/testsuite.at (modified) Added case '-F' (filling with molecule) to testsuite. Sun, 30 May 2010 13:58:31 GMT Frederik Heber <heber@…> [ef2b39] * tests/regression/Analysis/4/post/bin_output.csv (added) * tests/regression/Analysis/4/post/output.csv (added) * tests/regression/Analysis/4/pre/test.conf (added) * tests/regression/testsuite.at (modified) Added case '-C S' (correlation to surface) to testsuite. - created ... Sun, 30 May 2010 13:42:26 GMT Frederik Heber <heber@…> [08f6ff] * src/builder.cpp (modified) * tests/regression/Analysis/3/post/bin_output.csv (added) * tests/regression/Analysis/3/post/output.csv (added) * tests/regression/Analysis/3/pre/test.conf (added) * tests/regression/testsuite.at (modified) Added case '-C P' (correlation to point) to testsuite. - DOCUFIX: ... Sun, 30 May 2010 13:41:37 GMT Frederik Heber <heber@…> [06f8ee] * src/builder.cpp (modified) * tests/regression/Analysis/1/post/bin_output.csv (added) * tests/regression/Analysis/1/post/output.csv (added) * tests/regression/Analysis/1/pre/test.conf (added) * tests/regression/Analysis/2/post/bin_output-10.csv (added) * tests/regression/Analysis/2/post/bin_output-20.csv (added) * tests/regression/Analysis/2/post/bin_output-5.csv (added) * tests/regression/Analysis/2/post/output-10.csv (added) * tests/regression/Analysis/2/post/output-20.csv (added) * tests/regression/Analysis/2/post/output-5.csv (added) * tests/regression/Analysis/2/pre/test.conf (added) * tests/regression/testsuite.at (modified) Added case '-C E' (pair correlation analysis) to testsuite. - ... Sun, 30 May 2010 11:51:28 GMT Frederik Heber <heber@…> [046a1e] * tests/regression/Graph/2/pre/test.conf (added) * tests/regression/testsuite.at (modified) Added case '-I' (subgraph dissection) to testsuite. - constructed ... Sun, 30 May 2010 11:32:05 GMT Frederik Heber <heber@…> [5188f5] * src/builder.cpp (modified) * tests/regression/testsuite.at (modified) Added case '-M' (MPQC basis) to testsuite. - ... Sun, 30 May 2010 11:05:54 GMT Frederik Heber <heber@…> [93d732b] * src/World.cpp (modified) * src/builder.cpp (modified) * tests/regression/testsuite.at (modified) Added case '-X' (default mol name) to testsuite and bugfix. - ... Sun, 30 May 2010 10:57:14 GMT Frederik Heber <heber@…> [e8e48ab] * tests/regression/testsuite.at (modified) Added case '-n' (fast parsing) to testsuite. Sun, 30 May 2010 10:57:01 GMT Frederik Heber <heber@…> [403637] * tests/regression/testsuite.at (modified) Added case '-g' (load bond table) to testsuite. Sun, 30 May 2010 10:53:16 GMT Frederik Heber <heber@…> [ff73a2] * src/periodentafel.cpp (modified) * tests/regression/testsuite.at (modified) Refined check for case '-e' of testsuite and some found bugfixes of ... Sun, 30 May 2010 10:00:41 GMT Frederik Heber <heber@…> [2f0c42] * tests/regression/testsuite.at (modified) Added test for parsing specified element database to testsuite. Sun, 30 May 2010 09:54:26 GMT Frederik Heber <heber@…> [a97f55] * tests/regression/testsuite.at (modified) Extended standard options part of testsuite to include further tests. Sun, 30 May 2010 09:49:37 GMT Frederik Heber <heber@…> [745874] * tests/regression/Domain/4/post/test.conf (added) * tests/regression/Domain/4/pre/test.conf (added) * tests/regression/testsuite.at (modified) Added case '-O' to testsuite. Sun, 30 May 2010 09:45:41 GMT Frederik Heber <heber@…> [0335a2] * tests/regression/Domain/3/post/test.conf (added) * tests/regression/Domain/3/pre/test.conf (added) * tests/regression/testsuite.at (modified) Added case '-c' to testsuite. Sun, 30 May 2010 09:18:14 GMT Frederik Heber <heber@…> [b2b47f] * configure.ac (modified) * tests/Makefile.am (modified) * tests/regression/Makefile.am (added) * tests/regression/atlocal.in (moved) * tests/regression/molecuilder.in (moved) * tests/regression/testsuite.at (moved) Shifted regression testsuite into folder regression. This is to ...