From 1c899633d46ed452cd6bcb848437926dd86d467a Mon Sep 17 00:00:00 2001 From: Lorenzo Rovigatti Date: Sat, 20 Aug 2022 15:30:47 +0200 Subject: [PATCH] Add the CHANGELOG for the new tag --- CHANGELOG | 27 +++++++++++++++++++++++++++ 1 file changed, 27 insertions(+) diff --git a/CHANGELOG b/CHANGELOG index d685ba7a3..b60d09f34 100644 --- a/CHANGELOG +++ b/CHANGELOG @@ -1,3 +1,30 @@ +v. 3.4 + - Observables can now update their data structures while the sim runs + - Add a new observable to compute the stress autocorrelation + - Normalise the behaviour of log-lin trajectories + - Improve error messages on CUDA + - Remove a deprecated function by reworking how textures are accessed + - Fix a bug whereby the kinetic energy was not correctly printed to configuration files (issue #22) + - Fix a bug whereby RNA simulations with CUDA11 would crash + - Fix a bug in the CUDA barostat that sometimes made the code crash + - Fix a bug whereby "use_average_seq" would be always interpreted as an int rather than a boolean value (issue #27) + - Fix a bug whereby the code would not compile on Apple systems (issue #30) + oxpy: + - Make it possible to access the last_conf observable from python + - Add a Jupyter Notebook example + - Make the code deallocate ConfigInfo at the end of each simulation + - Fix a bug whereby oxpy simulations on CUDA couldn't be run consequently + - Fix a bug whereby the ConfigInfo object wouldn't be accessible from Python through the analysis backend + oat: + - Clarify python version requirements + - Change svd_align to not always align to (0, 0, 0) + - Add oxview visual bindings + - Update get_confs to handle times larger than the max value of int + - Update pca to have CLI control over how many oxView json files get printed (see issue #24) + - Add cli documentation to oat + - Fix a typo in db_to_force parser + - Several documentation improvements + v. 3.3 [7cb66cf] - Add variables to the input file - Add support for mathematical expressions to the input file