GROMACS development

04/20/2019

05:39 PM GROMACS Bug #2925: BasicVector addition operator yields unexpected result when adding scalar

Mark Abraham wrote:
> We should also consider removing the convenience conversion of BasicVector<ValueType> to Value...

04/18/2019

02:44 PM GROMACS Task #2894 (Fix uploaded): Wrap importable Python code.

04/10/2019

04:13 PM GROMACS Revision de0a1d5d: Add GROMACS library dependency to gmxapi package.

The `gmxapi` Python package has a C++ extension module configured and
built through CMake. This change links the C++ ...

03:16 PM GROMACS Revision 32153515: Use pybind11 to make a minimal C++ Python extension.

* Bundle pybind11 2.2.4 headers
* Create the `gmxapi._gmxapi` submodule as a C++ extension module.
Ref: #2912
Chang...

03:05 PM GROMACS Task #2919: C++ style guidelines for namespace use

Mark Abraham wrote:
> ::testing is from GoogleTest, we should leave it alone and avoid depending on its internals ...

12:09 PM GROMACS Task #2919: C++ style guidelines for namespace use

gtest uses @::testing::internal@ and we have a couple of @using@ lines for gtest stuff, but GROMACS also use @::testi...

11:26 AM GROMACS Task #2919: C++ style guidelines for namespace use

Roland Schulz wrote:
> My vote would be on detail.
Mine, too. @detail@ is pretty standard. @internal@ requires mo...

04/09/2019

06:44 PM GROMACS Task #2919: C++ style guidelines for namespace use

Roland Schulz wrote:
> registerModule in trajectoryanalysis/modules.cpp access it through the template argument
T...

05:24 PM GROMACS Task #2919: C++ style guidelines for namespace use

Mark Abraham wrote:
> 'detail' or 'internal' for that (and to use only one such name).
Is there currently a disti...

05:20 PM GROMACS Task #2919: C++ style guidelines for namespace use

Roland Schulz wrote:
> The 3 pieces of information have a semantic connection.
Ah! I had not noticed that this bu...