From a863426e636c4d740b6846b34eecad2f2108d040 Mon Sep 17 00:00:00 2001 From: Nathan Baker Date: Sat, 4 Feb 2023 19:21:08 -0800 Subject: [PATCH 1/3] Add past changes to ChangeLog. Fixes #155. --- docs/source/changelog.rst | 35 ++++++++++++++++++++++++++++------- 1 file changed, 28 insertions(+), 7 deletions(-) diff --git a/docs/source/changelog.rst b/docs/source/changelog.rst index 6d0e2fb..ad11c06 100644 --- a/docs/source/changelog.rst +++ b/docs/source/changelog.rst @@ -8,10 +8,31 @@ Current version Changes ------- -* Remove support for Python 3.6 and 3.7; add support for up to Python 3.11. +* Remove support for Python 3.6 and 3.7; add support for up to Python 3.11 + (`#154 `_ and + `#150 `_) -v3.4.0 -====== +* Add context manager for ``open_file_for_reading`` + (`#133 `_) + +Fixes +----- + +* Refactor and fix ``MolecularContainer.get_pi()`` + (`#148 `_) + +* Rename vanadium from ``Va`` to ``V`` + (`#141 `_) + +* Fix rounding issues + (`#124 `_) + +* Fix malfunctioning ``-g -w`` command line options + (`#124 `_) + + +v3.4.0 (2020-12-19) +=================== Changes ------- @@ -52,8 +73,8 @@ Fixes (`#105 `_) -v3.3.0 -====== +v3.3.0 (2020-07-18) +=================== Additions --------- @@ -89,8 +110,8 @@ Fixes (`#82 `_) -v3.2.0 -====== +v3.2.0 (2020-06-19) +=================== Additions --------- From 0de6387b6909558e94ed690412d91872dd579f70 Mon Sep 17 00:00:00 2001 From: Nathan Baker Date: Sun, 5 Feb 2023 14:12:16 -0800 Subject: [PATCH 2/3] Clarify change in log. Fixes https://github.com/jensengroup/propka/pull/158/files/a863426e636c4d740b6846b34eecad2f2108d040#r1096641709 --- docs/source/changelog.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/source/changelog.rst b/docs/source/changelog.rst index ad11c06..19b6c7c 100644 --- a/docs/source/changelog.rst +++ b/docs/source/changelog.rst @@ -18,7 +18,7 @@ Changes Fixes ----- -* Refactor and fix ``MolecularContainer.get_pi()`` +* Fix precision of ``MolecularContainer.get_pi()`` (`#148 `_) * Rename vanadium from ``Va`` to ``V`` From c74e7cda665637f334881f3e2434dca7d365b818 Mon Sep 17 00:00:00 2001 From: Nathan Baker Date: Sun, 5 Feb 2023 14:13:28 -0800 Subject: [PATCH 3/3] Clarify change in log. Fixes https://github.com/jensengroup/propka/pull/158/files/a863426e636c4d740b6846b34eecad2f2108d040#r1096640761 --- docs/source/changelog.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/source/changelog.rst b/docs/source/changelog.rst index 19b6c7c..53c4984 100644 --- a/docs/source/changelog.rst +++ b/docs/source/changelog.rst @@ -24,7 +24,7 @@ Fixes * Rename vanadium from ``Va`` to ``V`` (`#141 `_) -* Fix rounding issues +* Fix rounding issues in folding profile reporting (`#124 `_) * Fix malfunctioning ``-g -w`` command line options