Context Navigation

molecule1.xyz@ bc4be2

Visit:

Action_Thermostats

Last change on this file since bc4be2 was b9bfa6, checked in by Frederik Heber <heber@…>, 15 years ago

Changed regression testsuite structure of Selection/Atoms and ../Molecules.

all numbered test cases now have meaningful names.
(Un)Selection/Molecule action renames: by-formula and by-name have plural molecules (they can select multiple ones), by-id is singular.
renamed token of AtomAction/RotateAroundOriginByAngleAction: rotate-origin -> rotate-around-origin.
TESTFIX: Analysis/AngularDipoleCorrelation-Empty due to renaming of molecule_s_-by-formula
TESTFIX: Analysis/SurfaceCorrelation due to renaming of molecule_s_-by_formula

File size: 114 bytes

Line
1	3
2	Created by molecuilder for select-molecules-atoms test
3	O 0 0 3.36143
4	H 0.758602 0 3.86571
5	H 0.758602 0 2.85714

Note: See TracBrowser for help on using the repository browser.