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Initial all-vs-all kernels. Single precision SSE working.
2009-08-30
Erik Lindahl
Init
i
al
a
ll-vs
-
all kernels
.
Single
p
rec
i
sion SSE wor
k
ing
.
commit
|
commitdiff
|
tree
2009-08-30
Erik
L
indahl
Me
r
ge branch 'm
a
ster'
o
f
g
it@git
.
g
r
omacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2009-08-30
Erik Lindahl
Fixed velocity
o
utput a
t
fir
s
t step
on nodes>1
w
i
th
.
.
.
commit
|
commitdiff
|
tree
2009-08-26
Erik Lindahl
Chan
g
ed invsqrt() ->
gmx_inv
s
qrt() in yet another file
.
.
.
commit
|
commitdiff
|
tree
2009-08-26
Erik Lindahl
Merge branch '
m
ast
e
r' o
f
git@g
i
t
.
g
romacs
.
or
g
:grom
a
cs
commit
|
commitdiff
|
tree
2009-08-26
Erik Lindah
l
Chan
g
ed invsq
r
t() to gmx_
i
nvsqrt(
)
to accuracy lo
s
s
.
.
.
commit
|
commitdiff
|
tree
2009-08-08
Er
i
k Lind
a
hl
F
i
xe
d
append er
r
or for lar
g
e files (6
4
-bit
o
f
fsets)
commit
|
commitdiff
|
tree
2009-07-11
Erik Linda
h
l
Removed communication check in for PD vsite
,
buggy
.
commit
|
commitdiff
|
tree
2009-07-11
Erik
L
ind
a
hl
R
e
wrote vsite PD communication to only
r
e
quire one
.
.
.
commit
|
commitdiff
|
tree
2009-07-10
Erik Lindahl
F
i
xed inco
r
rect f
o
rces on vsites spr
e
ad ov
e
r
n
odes
.
.
.
commit
|
commitdiff
|
tree
2009-07-10
E
rik Lindahl
Fixed PD
l
in
c
s communica
t
ion iteration
s
tep - no
w
x
.
.
.
commit
|
commitdiff
|
tree
2009-07-10
Erik Lindahl
Me
r
ge branch
'
m
a
ster' of git@g
i
t
.
gromac
s
.
or
g
:gro
m
acs
commit
|
commitdiff
|
tree
2009-07-10
Erik Lindahl
Fixed bug i
n
PD lincs
i
mplemented yeste
r
day
- we were
.
.
.
commit
|
commitdiff
|
tree
2009-07-10
E
rik Lindahl
Fi
x
ed parallel vsi
t
ed
w
ith PD to wor
k
with local topolo
g
ies
commit
|
commitdiff
|
tree
2009-07-09
Eri
k
Lindahl
Forgo
t
one change to md
.
c
ne
c
essary for PD co
n
straints
commit
|
commitdiff
|
tree
2009-07-09
Er
i
k L
i
ndahl
Support
for parall
e
l
(nod
e
-crossing
)
constraints wit
h
.
.
.
commit
|
commitdiff
|
tree
2009-07-09
Eri
k
Lin
d
ahl
Fixed
p
ara
l
lel bug (PD, probably not D
D
) w
h
ere th
e
.
.
.
commit
|
commitdiff
|
tree
2009-07-06
Erik L
i
n
d
ahl
F
ixed xd
r
uchar write error that messe
d
up resid
u
e
.
.
.
commit
|
commitdiff
|
tree
2009-07-05
E
r
ik Lindahl
Added separa
t
e
g
b_epsilo
n
t
o
nonbond
e
d
kernels
commit
|
commitdiff
|
tree
2009-06-29
Eri
k
Lindahl
Added autoc
o
nf
.
libs and
.
deps to
gitig
n
or
e
fi
l
es
commit
|
commitdiff
|
tree
2009-06-29
Erik Lindahl
Added support for
g
e
t
t
im
e
ofda
y
() when
available
to
.
.
.
commit
|
commitdiff
|
tree
2009-06-05
Erik
L
indahl
Removed wa
r
ning about this being fina
l
CV
S
vers
i
on
.
.
.
commit
|
commitdiff
|
tree
2009-06-05
Erik L
i
nda
h
l
Re
m
oved CVS-specifi
c
entries from Cmak
e
config fil
e
s
.
commit
|
commitdiff
|
tree
2009-06-05
Erik Lindahl
Removed
f
iles n
o
lon
g
er used a
f
ter the
cvs->git move
.
commit
|
commitdiff
|
tree
2009-06-05
Erik Lindahl
Version bump in CMakeLists
.
t
x
t t
o
test g
i
t commit email
s
commit
|
commitdiff
|
tree
2009-06-05
Erik
Li
n
dahl
Removed o
l
d
unused windows
config file (we now use
.
.
.
commit
|
commitdiff
|
tree
2009-06-05
Erik Li
n
dahl
version bump in configure
.
a
c
commit
|
commitdiff
|
tree
2009-06-04
Erik Lindahl
Adde
d
files
f
or git to ignore
commit
|
commitdiff
|
tree
2009-06-04
Erik Lindah
l
R
esto
r
ed a
r
eal version
string after the
cvs->git move
commit
|
commitdiff
|
tree
2009-06-04
Erik Lind
a
hl
R
emoved Id t
a
gs f
r
om
mast
e
r
b
r
anch
s
inc
e
the
y
wil
l
.
.
.
commit
|
commitdiff
|
tree