X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2FTODO.AFTER.CASP14;h=cacb8a05c42d7f12d276f1f16a0f309428a9e161;hb=a05e8996b6fb955dc21aef7a85db21ee73d0a9d3;hp=85ea11ac1f9f0c2c6005c66eb96e6655616690f8;hpb=c711143ad3fffb04d27b55aa823f399b8343c4c5;p=unres.git diff --git a/source/unres/src-HCD-5D/TODO.AFTER.CASP14 b/source/unres/src-HCD-5D/TODO.AFTER.CASP14 index 85ea11a..cacb8a0 100644 --- a/source/unres/src-HCD-5D/TODO.AFTER.CASP14 +++ b/source/unres/src-HCD-5D/TODO.AFTER.CASP14 @@ -5,3 +5,5 @@ 4. HREMD 5. Fourbody interactions - eliminate pp-contact etc. storage (currently 4body switched off by default, -DFOURBODY flag switches on). +6. Fix LBFGS - the linesearch (search) subroutine does not handle difficult + cases when changing variables can result in nans.