diff --git a/docs/source/changelog.rst b/docs/source/changelog.rst index b5600f504..9a2f80a30 100644 --- a/docs/source/changelog.rst +++ b/docs/source/changelog.rst @@ -19,9 +19,9 @@ v0.19.0 / 2021-05-DD New Features ++++++++++++ -.. - (:pr:`289`) TeraChem - new harness for TeraChem Protocol Buffer Server mode. @coltonbh -.. - (:pr:`290`) MCTC-GCP - harness for new implementation of gCP, `mctc-gcp`, whose cmdline interface is drop-in replacement. @loriab -.. - (:pr:`291`) DFTD4 - new harness for standalone DFT-D4 executable. @awvwgk +- (:pr:`290`) MCTC-GCP - harness for new implementation of gCP, `mctc-gcp`, whose cmdline interface is drop-in replacement. @loriab +- (:pr:`291`) DFTD4 - new harness for standalone DFT-D4 executable. @awvwgk +- (:pr:`289`) TeraChem - new harness for TeraChem Protocol Buffer Server mode. @coltonbh Enhancements ++++++++++++ @@ -30,7 +30,8 @@ Enhancements Bug Fixes +++++++++ - (:pr:`288`) Avert running model.basis = BasisSet schema even though they validate. @loriab -- (:pr:`297`) Update MDI interface for v1.2. @loriab +- (:pr:`294`) NWChem - fixed bug where was retrieving only the first step in a geometry relaxation with line-search off. @WardLT +- (:pr:`297`) MDI - Update interface for v1.2. @loriab v0.18.0 / 2021-02-16 diff --git a/docs/source/program_overview.rst b/docs/source/program_overview.rst index 17e633b17..d647156f1 100644 --- a/docs/source/program_overview.rst +++ b/docs/source/program_overview.rst @@ -74,5 +74,7 @@ Analytical Corrections +============+============+===+===+===+============+ | DFTD3 | ✓ | ✓ | ✓ | ✘ | ✘ | +------------+------------+---+---+---+------------+ +| DFTD4 | ✓ | ✓ | ✓ | ✘ | ✘ | ++------------+------------+---+---+---+------------+ | gCP | ✘ | ✓ | ✓ | ✘ | ✘ | +------------+------------+---+---+---+------------+