Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
Name
|
Size
|
Rev |
Age
|
Author
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Last Change |
../
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ethane.ekin
|
705 bytes
|
37fe17
|
7 years
|
frederik.heber |
TESTS: Added MD tests on methane, ethane, and water-filled system.
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ethane_initial_steps.data
|
1.2 KB
|
37fe17
|
7 years
|
frederik.heber |
TESTS: Added MD tests on methane, ethane, and water-filled system.
|
methane.ekin
|
772 bytes
|
37fe17
|
7 years
|
frederik.heber |
TESTS: Added MD tests on methane, ethane, and water-filled system.
|
methane_initial_steps.data
|
792 bytes
|
37fe17
|
7 years
|
frederik.heber |
TESTS: Added MD tests on methane, ethane, and water-filled system.
|
water-system.ekin
|
651 bytes
|
37fe17
|
7 years
|
frederik.heber |
TESTS: Added MD tests on methane, ethane, and water-filled system.
|
water-system_initial_steps.data
|
11.4 KB
|
37fe17
|
7 years
|
frederik.heber |
TESTS: Added MD tests on methane, ethane, and water-filled system.
|
water.ekin
|
687 bytes
|
0aae02
|
7 years
|
frederik.heber |
Added integration test molecular dynamics of a water molecule.
- we …
|
water_initial_steps.data
|
484 bytes
|
0aae02
|
7 years
|
frederik.heber |
Added integration test molecular dynamics of a water molecule.
- we …
|
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