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Free-energy support for LJ-PME
2014-03-29
Ch
r
i
stian Wennber
g
Free
-
energy support for
L
J-P
M
E
commit
|
commitdiff
|
tree
2014-03-28
Chri
s
ti
a
n
W
enn
b
e
r
g
New VDW ke
r
nel flavour for LJ-
P
ME and u
p
dated
group
.
.
.
commit
|
commitdiff
|
tree
2014-03-18
Christian Wenn
b
erg
Renam
i
ng in PME-routin
e
s
commit
|
commitdiff
|
tree
2014-03-18
Christian Wennberg
Bugfix in LJ-PME w
i
thout
electro
s
tatics
commit
|
commitdiff
|
tree
2014-01-22
Christ
i
an
W
ennberg
Bug-fi
x
i
n
l
o
ng-
r
ange corr
e
ct
i
on for LJ-PME
commit
|
commitdiff
|
tree
2013-12-02
C
hristian Wennber
g
Ca
l
c
u
lating LJ-
i
nteract
i
ons
u
si
n
g Particle mesh Ewald
commit
|
commitdiff
|
tree
