source: tests/regression/Parser/Tremolo-SetAtomdata/post/argon.data@ 1ca493a

Candidate_v1.7.0 stable
Last change on this file since 1ca493a was 4fc0ea, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

TESTFIX: Changes to various regression and Python tests because of modified output precision.

  • basically needed to change all .data files diff'ed against in tests.
  • TESTS: Removed XFAIL from all tests marked earlier as such.
  • TESTS: for the MolecularDynamics integration tests the ekin files have slightly changed but only in the last digits (typical relative error of 1e-5 at most).
  • Property mode set to 100644
File size: 78 bytes
RevLine 
[81c980b]1# ATOMDATA type x=3
[ccb487]2# Box 20 0 0 0 20 0 0 0 20
[4fc0ea]3Ar 4.72977074 8 8
[81c980b]4Ar 7.3 8 8
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