From 3a2969cb94d4541ea6958a8fb320152d4b8c9f2e Mon Sep 17 00:00:00 2001 From: Josh Buckner Date: Tue, 17 Mar 2020 16:34:11 -0400 Subject: [PATCH] update changelog for merge request 20 --- ChangeLogs/ChangeLog.c44 | 32 ++++++++++++++++++++++++++++++++ 1 file changed, 32 insertions(+) diff --git a/ChangeLogs/ChangeLog.c44 b/ChangeLogs/ChangeLog.c44 index e149b6bd1..0dd569c9d 100644 --- a/ChangeLogs/ChangeLog.c44 +++ b/ChangeLogs/ChangeLog.c44 @@ -1560,3 +1560,35 @@ Files Involved: - source/ltm/version_ltm.F90 - source/pert/lambdadyn.F90 +------------------------------------------------------------------------------ +4.12 rtfs with > 1000 lonepairs and username trimming + Developer: Anmol Kumar and Josh Buckner + Institution: University of Maryland and University of Michigan + Date: 6 March 2020 + +Merge request: https://charmm-dev.org:1976/bucknerj/stable-release/merge_requests/20 +Git commit: 3e33f693a2af057a2e91b49900a5d7f01209e305 + +1. LIMIT EXCEEDED error while reading Drude FF while reading rtf files with + more than 1000 lone pair parameter +2. The username in the banner is padded with C null characters instead of + spaces. + +Files Involved: +1. lonepair fixes: + - source/gener/genpsf.F90 + - source/gener/modpsf.F90 + - source/io/rtfio.F90 + - test/c44test/readlpsin\_rtf.inp + - test/data/manylp\_toppar\_drude.str + - test/data/manylp\_toppar\_drude/toppar\_drude\_carbohydrate\_2018a.str + - test/data/manylp\_toppar\_drude/toppar\_drude\_lipid\_2017c.str + - test/data/manylp\_toppar\_drude/toppar\_drude\_master\_protein\_2013f.str + - test/data/manylp\_toppar\_drude/toppar\_drude\_model\_2013f.str + - test/data/manylp\_toppar\_drude/toppar\_drude\_nucleic\_acid\_2017c.str + - test/data/readlpsin1.crd + - test/data/readlpsin2.crd +2. username fix: + - source/charmm/iniall.F90 + - source/machdep/startup.F90 + -- 2.25.1