PR to master: openKIM feature
Now, we merge the openKIM functionality in the periodic relaxation branch into master. Commits: 005823eb a37efe82 59844366 24fdccb2 ca9df2d9 19caae81 40e14cc7 e4eb7b3e f38dc104 030ee35b 1e8d1ca5 ae2cecbf 057660d1 55693fbf c02b7bf9 696420eb 105f5dfb 895c0e30 b67210e3 d0c855b0 26bd0861 e4022f5b 4861ae59 2d45d8d0 d994c460
Open tasks:
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Change material back to Finnis-Sinclair copper -
#65 (closed) Modularize preprocessor for test coverage (@brgerhar) -
Is a smaller mesh/fewer iterations enough to test the behavior? (This would enable unit tests.) -
How can such meshes be generated (@ssaxena)? -
Unit test (simplifies testing details): -
Computing energy works via KIM
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Integration test (simplifies debugging): -
Idea: In-memory mesh, few iterations of relaxation
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Edited by webmanue