Merge pull request #2585 from tc387/charge_regulation2

Add fix charge/regulation to MC package
This commit is contained in:
Axel Kohlmeyer
2021-04-12 18:49:03 -04:00
committed by GitHub
20 changed files with 3492 additions and 2 deletions

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@ -261,6 +261,7 @@ bitmask
bitrate
bitrates
Bitzek
Bjerrum
Blaise
blanchedalmond
blocksize
@ -504,6 +505,8 @@ coulgauss
coulombic
Coulombic
Coulombics
counterion
counterions
Courant
covalent
covalently
@ -732,6 +735,7 @@ DRUDE
dsf
dsmc
dt
dtemp
dtgrow
dtheta
dtshrink
@ -880,6 +884,7 @@ equilibrates
equilibrating
equilibration
Equilibria
equilibria
equilization
equipartitioning
Ercolessi
@ -1216,6 +1221,7 @@ hbnewflag
hbond
hcp
heatconduction
Hebbeker
Hebenstreit
Hecht
Heenen
@ -1283,6 +1289,7 @@ hy
hydrophobicity
hydrostatic
hydrostatically
hydroxyl
Hynninen
Hyoungki
hyperdynamics
@ -1373,6 +1380,7 @@ ints
inv
invariants
inversed
ionizable
ionocovalent
iostreams
iparam
@ -1552,6 +1560,7 @@ Koning
Kooser
Korn
Koskinen
Kosovan
Koster
Kosztin
Kp
@ -1598,6 +1607,7 @@ Lamoureux
Lanczos
Lande
Landron
Landsgesell
langevin
Langevin
Langston
@ -1735,10 +1745,13 @@ lpsapi
lrt
lsfftw
ltbbmalloc
Lua
lubricateU
lucy
Lua
Luding
Luijten
lunit
Lunkad
Lussetti
Lustig
lval
@ -2029,6 +2042,7 @@ multiscale
multisectioning
multithreading
Multithreading
multivalent
Mundy
Murdick
Murtola
@ -2074,6 +2088,7 @@ Nanoletters
nanomechanics
nanometer
nanometers
nanoparticle
nanoparticles
Nanotube
nanotube
@ -2183,6 +2198,7 @@ nm
Nm
Nmax
nmax
nmc
Nmin
nmin
Nmols
@ -2317,6 +2333,7 @@ OMP
oneAPI
onelevel
oneway
onlysalt
onn
ons
OO
@ -2401,6 +2418,8 @@ pbc
pc
pchain
Pchain
pcmoves
pmcmoves
Pdamp
pdb
pdf
@ -2445,6 +2464,7 @@ phosphide
Phs
Physica
physik
pI
Piaggi
picocoulomb
picocoulombs
@ -2456,7 +2476,9 @@ pid
piecewise
Pieniazek
Pieter
pIm
pimd
pIp
Piola
Pisarev
Pishevar
@ -2471,6 +2493,9 @@ ploop
PloS
plt
plumedfile
pKa
pKb
pKs
pmb
Pmolrotate
Pmoltrans
@ -2799,6 +2824,7 @@ rst
rstyle
Rubensson
Rubia
Rud
Rudd
Rudra
Rudranarayan