biod.pnpi.spb.ru / alexxy / gromacs.git / commit
? search:
summary | shortlog | log | commit | commitdiff | tree
(parent: b8c9e80) | patch
Add subgraph and while_loop operations.
authorM. Eric Irrgang <ericirrgang@gmail.com>
Thu, 20 Jun 2019 10:55:51 +0000 (13:55 +0300)
committerEric Irrgang <ericirrgang@gmail.com>
Mon, 19 Aug 2019 15:52:52 +0000 (17:52 +0200)
commit916bcba32e97957faecb41518222908d51626252
tree2e23f44b7024ed55ad8109e5e4f0abfc0837b265tree | snapshot
parentb8c9e80fc171d73ef043f557fa3aeb8bbca12a80commit | diff
Add subgraph and while_loop operations.

Allow multiple operations to be added in a subcontext so that
the set of operations can be instantiated and executed
repeatedly in a looping construct.

Also adds logical_not transformation, which will be further
refined in later changes.

Refs #2994

Change-Id: I482d51bac9756a197d8b50fb2a4af36a44dbde27
python_packaging/src/gmxapi/__init__.py diff | blob | history
python_packaging/src/gmxapi/operation.py diff | blob | history
python_packaging/src/test/test_subgraph.py [new file with mode: 0644] blob
Local GROMACS mirror with custom stuff