Candidate_v1.6.1
ChemicalSpaceEvaluator
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
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Name
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Size
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Rev |
Age
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Author
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Last Change |
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../
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ethane.ekin
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705 bytes
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37fe17
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7 years
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frederik.heber |
TESTS: Added MD tests on methane, ethane, and water-filled system.
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ethane_initial_steps.data
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1.2 KB
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37fe17
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7 years
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frederik.heber |
TESTS: Added MD tests on methane, ethane, and water-filled system.
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methane.ekin
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772 bytes
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37fe17
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7 years
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frederik.heber |
TESTS: Added MD tests on methane, ethane, and water-filled system.
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methane_initial_steps.data
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792 bytes
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37fe17
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7 years
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frederik.heber |
TESTS: Added MD tests on methane, ethane, and water-filled system.
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water-system.ekin
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651 bytes
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37fe17
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7 years
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frederik.heber |
TESTS: Added MD tests on methane, ethane, and water-filled system.
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water-system_initial_steps.data
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11.4 KB
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37fe17
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7 years
|
frederik.heber |
TESTS: Added MD tests on methane, ethane, and water-filled system.
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water.ekin
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687 bytes
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0aae02
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7 years
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frederik.heber |
Added integration test molecular dynamics of a water molecule.
- we …
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water_initial_steps.data
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484 bytes
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0aae02
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7 years
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frederik.heber |
Added integration test molecular dynamics of a water molecule.
- we …
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Property mode
set to
040000
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