Action_Thermostats
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
Fix_Verbose_Codepatterns
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
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Last change
on this file since d24ef58 was 4217e7, checked in by Frederik Heber <heber@…>, 14 years ago |
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Added regression test on --parse-tremolo-potentials.
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100644
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File size:
327 bytes
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| 1 | particles {
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| 2 | particle: particle_type=Argon, element_name=Ar, sigma=1.000000e+00, epsilon=1.000000e+00, sigma14=1.000000e+00, epsilon14=1.000000e+00, mass=1.000000e+00, free=3, charge=0.000000e+00;
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| 3 | };
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| 4 | nonbonded_2body_potentials {
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| 5 | ljspline: particle_type1=Argon, particle_type2=Argon, r_cut=2.300000e+00, r_l=1.900000e+00;
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| 6 | };
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