source: tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0018.dat

Candidate_v1.6.1
Last change on this file was e9bdef, checked in by Frederik Heber <heber@…>, 12 years ago

TESTFIX: Analysis' DipoleAngularCorrelation() and BinData() suffered numerical instabilities.

  • cut precision down to 6 digits which also matches with output precision.
  • TESTFIX: As we use floor() to round, the least digit changed in some cases, i.e. a change within 1e-6. Corrected in regression tests Analysis/ DipoleAngularCorrelation.
  • TESTFIX: same with AnalysisPairCorrelationUnitTest.
  • Property mode set to 100644
File size: 79 bytes
RevLine 
[a860a1]1BinStart BinCenter BinEnd FirstAtomOfMolecule
[e9bdef]2170.11884 0 0 O1,(5.167,5,5.014)
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