diff --git a/package/AUTHORS b/package/AUTHORS index ed82321a9e..c8ba87c062 100644 --- a/package/AUTHORS +++ b/package/AUTHORS @@ -284,6 +284,7 @@ Chronological list of authors - Sai Udayagiri - Apoorva Verma - Aryaman Chaudhri + - Francesco Siciliani External code ------------- diff --git a/package/CHANGELOG b/package/CHANGELOG index c043f683f0..b106b09dc3 100644 --- a/package/CHANGELOG +++ b/package/CHANGELOG @@ -18,11 +18,13 @@ The rules for this file: spyke7, talagayev, tanii1125, BradyAJohnston, hejamu, jeremyleung521, harshitgajjela-droid, kunjsinha, aygarwal, jauy123, Dreamstick9, ollyfutur, Amarendra22, charity-g, ParthUppal523, apoorva-01, RMeli, - raulloiscuns, Aryaman-Chaudhri + raulloiscuns, Aryaman-Chaudhri, sici17 * 2.11.0 Fixes + * Mass (u) has been added to MDAnalysis base units and clarified that physical + constants use CODATA 2010 values (Issue #3944, PR #5439) * Added `.gitattributes` to enforce LF (\n) as line endings and renormalized existing files to conform (Issue #5315, PR #5446) * `AtomGroup.rotate()` and the `rotateby` trajectory transformation now diff --git a/package/MDAnalysis/units.py b/package/MDAnalysis/units.py index d52e46d86c..70b8a226bf 100644 --- a/package/MDAnalysis/units.py +++ b/package/MDAnalysis/units.py @@ -47,8 +47,15 @@ charge :math:`e` :math:`1.602176565 \times 10^{-19}` As force kJ/(mol·Å) :math:`1.66053892103219 \times 10^{-11}` J/m speed Å/ps :math:`100` m/s + mass u :math:`1.66053892103219 \times 10^{-27}` kg =========== ============== =============================================== +MDAnalysis currently uses the NIST `CODATA 2010`_ values for physical constants. + +.. _`CODATA 2010`: + https://physics.nist.gov/cuu/Constants/ArchiveASCII/allascii_2010.txt + + Implementation notes -------------------- @@ -407,6 +414,7 @@ def __getitem__(self, key): "charge": "e", "force": "kJ/(mol*A)", "speed": "A/ps", + "mass": "u", } diff --git a/testsuite/MDAnalysisTests/utils/test_units.py b/testsuite/MDAnalysisTests/utils/test_units.py index dad63d6b11..b37383f58a 100644 --- a/testsuite/MDAnalysisTests/utils/test_units.py +++ b/testsuite/MDAnalysisTests/utils/test_units.py @@ -181,6 +181,7 @@ def ref(): "charge": "e", "force": "kJ/(mol*A)", "speed": "A/ps", + "mass": "u", } return ref