handle not previously flagged false positives

This commit is contained in:
Axel Kohlmeyer
2020-04-06 08:28:12 -04:00
parent 592a5fac53
commit 56c07cec26
2 changed files with 14 additions and 2 deletions

View File

@ -64,7 +64,7 @@ performed using a line search algorithm. The line search typically
evaluates forces and energies several times to set new coordinates.
Currently, a backtracking algorithm is used which may not be optimal
in terms of the number of force evaluations performed, but appears to
be more robust than previous line searches we've tried. The
be more robust than previous line searches we have tried. The
backtracking method is described in Nocedal and Wright's Numerical
Optimization (Procedure 3.1 on p 41).

View File

@ -262,6 +262,7 @@ Boltzman
BondAngle
BondBond
bondchk
BondingIDs
bondmax
bondtype
Bonet
@ -366,7 +367,8 @@ chemistries
Chemnitz
Cheng
Chenoweth
chiral
ChiralIDs
chiralIDs
chirality
Cho
chris
@ -433,6 +435,7 @@ cond
conda
Conda
Condens
Connor
conf
config
configfile
@ -564,6 +567,7 @@ defn
deformable
del
delaystep
DeleteIDs
deleteIDs
Dellago
delocalization
@ -713,6 +717,7 @@ Ec
ecoul
ecp
Ecut
EdgeIDs
edgeIDs
edihed
edim
@ -1050,6 +1055,7 @@ gpu
gpuID
gpus
gradV
GradVidottan
graining
Graining
Grama
@ -1157,6 +1163,7 @@ Houlle
howto
Howto
Hoyt
Hs
hstyle
html
hTST
@ -1388,6 +1395,7 @@ KDevelop
ke
KE
Keblinski
Keefe
keflag
Keir
Kelchner
@ -1410,6 +1418,7 @@ Klapp
Kloss
kmax
Kmax
KMP
Knizhnik
knl
Kofke
@ -1578,6 +1587,7 @@ lmpqst
lmpsdata
Lmpsdata
lmptype
LMT
ln
localTemp
localvectors
@ -2658,6 +2668,8 @@ Shi
Shiga
Shinoda
shlib
SHM
shm
shockvel
si
SiC