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. evaluates forces and energies several times to set new coordinates.
Currently, a backtracking algorithm is used which may not be optimal Currently, a backtracking algorithm is used which may not be optimal
in terms of the number of force evaluations performed, but appears to 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 backtracking method is described in Nocedal and Wright's Numerical
Optimization (Procedure 3.1 on p 41). Optimization (Procedure 3.1 on p 41).

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