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Fixed bug in the new switch-modified interactions in C kernels
2012-11-08
Erik Lindah
l
Fixed
bug in the new switch-modified
inte
r
action
s
in
.
.
.
commit
|
commitdiff
|
tree
2012-11-08
Erik Lindahl
Allow rcoulomb=rl
i
stlon
g
for P
M
E with nstcalclr=1
commit
|
commitdiff
|
tree
2012-11-08
Erik
Lindahl
Infras
t
ructure
f
or new gro
u
p kernels
,
and new C
kernels
commit
|
commitdiff
|
tree
2012-06-21
Erik Lin
d
a
h
l
Fixed gc
c
inline assembly iss
u
e with PI
C
a
nd older
.
.
.
commit
|
commitdiff
|
tree
2012-06-16
E
r
ik
L
inda
h
l
New C
P
U detection & AVX/S
S
E cod
e
, removed raw ass
e
mbly
.
.
.
commit
|
commitdiff
|
tree
2011-09-16
Erik Lindahl
M
e
rge
"made
allocation fo
r
LINCS with particl
e
d
e
composition
.
.
.
commit
|
commitdiff
|
tree
2011-09-13
Erik
L
in
d
a
hl
Introduce
d
different options
for pdb2gmx term
i
ni introductio
.
.
.
commit
|
commitdiff
|
tree
2011-09-13
Erik L
i
ndahl
Fixed inc
o
rr
e
ction AmberGS force field (
r
e
d
mine #728)
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