2020

Bug #1977: warning: __WORDSIZE not defined

Bug #2668: gmx anaeig entropy output are not consistent between runs

Bug #2815: gmx msd -mol broken

Bug #2836: Travis-CI configuration file is broken and obstructive

Bug #2843: Building with GMX_BUILD_OWN_FFTW

Bug #2844: Test SEGV with -DGMX_DOUBLE due to LAPACK

Bug #2858: Group scheme C kernels fail in complext tests

Bug #2903: gmx wham doesn't compute profile with pull=angle-axis

Bug #2990: Deprecate Armv7

Bug #3024: Bad logic for Sphinx detection CMake output

Bug #3161: mdrun-test hangs with -ntmpi2

Bug #3238: Incorrectly documented clang-format version.

Bug #3251: Deprecations not tracked

Bug #3259: -update gpu option silently ignored

Bug #3261: Wrong heading in 2020 release notes

Bug #3269: TPR file reading fails on systems with different endianess than those that generated the file

Bug #3270: gmxapi Python package installation may have unsatisfied cmake package dependency

Bug #3276: TPR file size is 4 times compared to those of the 2019 branch

Feature #1975: grompp should warn if .mdp define does nothing

Feature #2615: Switch to Python3

Feature #2887: CUDA version of Leap Frog algorithm

Feature #2901: Declare external Resources in mdp / tpr files.

Feature #2957: add support for the Hygon Dhyana architecture

Feature #3022: modernized naming for new GPU developments

Feature #3034: Python gmxapi exception hierarchy

Feature #3087: enable GPU peer to peer access

Task #2281: Represent data on regularly spaced N-dimensional grids.

Task #2391: re-enable TPI test

Task #2505: increase cmake reqirement for GROMACS 2020

Task #2654: make more symbols always defined

Task #2727: Move non-analysis functions out of gmxana

Task #2730: Add tests for gmx_genion

Task #2731: Add test support for modifiable inputs to command line tools

Task #2893: Integrate gmxapi Python package

Task #2894: Wrap importable Python code.

Task #2895: gmxapi Output proxy establishes execution dependency.

Task #2943: Rename Integrator

Task #2945: Give MdModules access to simulation resources (e.g. atom selection manager or communication infrastructure)

Task #3167: GPU update path user documentation

Task #3188: re-enalble parallel spline calculation for #threads/atoms > 4

Task #3208: improve PP-PME tuning

Task #3248: 2020 dev docs describe uncrustify requirement

GROMACS