Action_Thermostats
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
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
stable
|
Last change
on this file since e0b960 was 75237f, checked in by Frederik Heber <heber@…>, 10 years ago |
|
Added regression test for parsing and saving potentials file.
|
-
Property mode
set to
100644
|
|
File size:
141 bytes
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| Rev | Line | |
|---|
| [75237f] | 1 | constant: energy_offset=-75.9843;
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|---|
| 2 | harmonic_bond: particle_type1=8, particle_type2=1, spring_constant=0.298268, equilibrium_distance=1.80579;
|
|---|
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