From 6854eece35de6723abe81e6e64d598ef12c5a302 Mon Sep 17 00:00:00 2001 From: Lorenzo Rovigatti Date: Tue, 12 Mar 2024 13:15:22 +0100 Subject: [PATCH] Update the CHANGELOG to prepare for the new version --- CHANGELOG | 20 +++++++++++++++++++- 1 file changed, 19 insertions(+), 1 deletion(-) diff --git a/CHANGELOG b/CHANGELOG index c5ba91788..3e2ee39cf 100644 --- a/CHANGELOG +++ b/CHANGELOG @@ -1,4 +1,22 @@ -v. 3.6.0 +v. 3.6.1 + - Fix some bugs and docs errors due to the DRH -> NA change (see #81) [79728d3 and 7cf4b94] + - Add and document an option to control the DH cut-off (see #83) [95a9f0d] + - Make the MPI VMMC backend runnable once again, after it had been broken for years (see #85) [8becd5f] + - Fix how the trap, twist and string forces behave on CUDA (see #71) [e92695c] + - Fix the oat test's suite (see #89) [ffd1dd9] + - Add an observable that can be used to print the total external force acting on particles [7f0eff6] + - Fix a bug whereby the DPS interaction would segfault of dying gracefully when too many patches were used [b38ae1c] + oxpy: + - Add a method to Python's InputFile and update some outdated info [bd7c9e6] + oat: + - Added RMSD calculation to superimpose [99320e0] + - Added output file naming option to superimpose [3d316b6] + - Clarified argparse strings for distance and subset [eae41a9] + - Fixed missing newline bug in write_conf [0e5c28d] + - Fixed bad error in get_confs [171f2ca] + - Overhaul of clustering to have significantly more options and cleaner output [80920ab] + +v. 3.6.0 [aaebaeb] - Add 6 more tests to the `run` level; these tests use the new topology and check that the DNA, RNA and NA interactions compute the right energies for a short nicked duplex - Add support for a "new" topology format where nucleotides are listed in the 5' -> 3' order, which is the standard in the community - Add the NA interaction, which can be used to simulate hybrid DNA/RNA systems (by @eryykr, see #68)