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Support 4 sized cluster for GPU NBL search
2018-03-29
Magnus Lundborg
I
mpr
o
ved ch
e
ck
of
i
f only forces are computed in do_pairs()
commit
|
commitdiff
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tree
2017-12-05
Magnus Lundbo
r
g
SIMD accelerated
Ure
y
-Bradley
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|
commitdiff
|
tree
2017-11-18
Magn
u
s Lun
d
borg
A
dded
M
ag
n
u
s
Lundborg
a
s
c
ontributor in the manual
.
Added
Magnus Lundborg
as contributor in the manual.
commit
|
commitdiff
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tree
2017-11-08
Magnus Lu
n
dborg
Update to
T
NG v 1
.
8
.
1
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tree
2017-10-13
Magnus Lundborg
Do not include h
e
a
d
e
rs rel
a
ted t
o
Obse
r
vablesHisto
r
y
commit
|
commitdiff
|
tree
2017-10-03
Magnus Lundbor
g
Write atom
masse
s
and pa
r
t
ial
cha
r
ges t
o
TNG
commit
|
commitdiff
|
tree
2017-06-11
M
a
gnus L
u
ndbo
r
g
Up
d
ated TNG to
v
e
rsion
1
.
8
commit
|
commitdiff
|
tree
2015-12-05
Magnus Lundborg
Write force
s
a
nd velocities to com
p
re
s
sed TNG
.
commit
|
commitdiff
|
tree
2015-11-30
Magn
u
s L
u
ndbor
g
Fixed
t
ypos in output
.
commit
|
commitdiff
|
tree
2015-11-25
Magnus Lund
b
org
Use
l
ocal variables instead of those
in *ir
.
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|
commitdiff
|
tree
2015-06-24
M
agnus
L
undborg
U
pdate header
when appending t
o
TNG file
.
commit
|
commitdiff
|
tree
2015-06-12
Mag
n
us Lundb
o
rg
TNG v
e
rs
i
o
n 1
.
7
.
6
commit
|
commitdiff
|
tree
2015-05-16
Mag
n
u
s Lu
n
dborg
TNG
v
ersion 1
.
7
.
5
commit
|
commitdiff
|
tree
2015-04-21
M
agnu
s
L
und
b
org
T
N
G
ver
s
ion
1
.
7
.
3
commit
|
commitdiff
|
tree
2014-11-24
Magnus Lundborg
When wr
i
ting TN
G
t
h
e input must contain m
o
lecule
data
.
commit
|
commitdiff
|
tree
2014-09-02
Mag
n
us L
u
ndborg
TNG Fix fo
r
GMX_DOUBLE bu
i
lds and wher
e
ZLIB is
n
ot
.
.
.
commit
|
commitdiff
|
tree
2014-09-02
Mag
n
us Lundbo
r
g
F
i
x data block len
g
th when un
c
ompressing T
N
G data
.
commit
|
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|
tree
2014-09-01
Magnus Lundborg
TNG: Handle large files on 32 bit system
s
.
commit
|
commitdiff
|
tree
2014-09-01
Magnus Lundborg
When
writing TNG i
n
clude file clo
s
ing in wallcycle
.
commit
|
commitdiff
|
tree
2014-08-21
Magnus Lun
d
b
org
Fixed T
N
G memory a
l
ignment problem
and reset poin
t
e
r
s
.
commit
|
commitdiff
|
tree
2014-07-05
Ma
g
nu
s
L
u
n
d
b
o
rg
Fix bug causin
g
r
e
ading next fra
m
e not to stop
.
commit
|
commitdiff
|
tree
2014-07-05
Magnus Lund
b
org
Fix tng_nu
m
_frame_sets_
g
et
(
)
with no frame se
t
s
.
commit
|
commitdiff
|
tree
2014-06-28
Magnus L
u
ndborg
Update TNG
bu
i
l
d
system
commit
|
commitdiff
|
tree
2014-06-24
Mag
n
us Lundb
o
rg
Improved
c
h
e
ck
t
o decide
if t
o
add chain
/
re
s
idue
.
commit
|
commitdiff
|
tree
2014-06-19
Magnus Lundborg
Bumped
the TNG
l
i
brary
t
o the latest version
.
commit
|
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|
tree
2014-05-31
Magnus Lundbor
g
Fix bug writ
i
ng TNG
o
u
t
p
ut from dump
.
commit
|
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|
tree
2014-05-31
Magnus Lundborg
Bug fix in the
TNG lib
r
ary to imp
r
ove reading
.
commit
|
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|
tree
2014-04-24
Magnus Lundborg
More efficient TNG
s
election group
creat
i
on
commit
|
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|
tree
2014-04-16
Magnus Lund
b
org
Fixed bug inverting compression precision
.
commit
|
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|
tree
2014-03-01
Magnus Lundborg
B
u
mped T
N
G
to
lates
t
version
.
commit
|
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|
tree
2014-02-13
Magnus Lundborg
One mo
r
e
b
ump of the
T
NG version
.
commit
|
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|
tree
2014-02-13
Magnus Lundborg
R
em
o
ved option to use OpenMP with the TNG
libra
r
y
.
commit
|
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|
tree
2014-02-12
Magn
u
s Lundbo
r
g
Enable TNG
builds o
n
Windows by de
f
ault
.
commit
|
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|
tree
2014-02-12
Mag
n
us
L
undborg
Bump
e
d T
N
G to latest ve
r
s
i
on
.
commit
|
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|
tree
2014-02-11
Ma
g
n
u
s Lund
b
org
A
dded inf
o
rm
a
tion a
b
o
u
t how to cite t
h
e
TN
G
pa
p
er
.
commit
|
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|
tree
2014-01-20
Magnus
Lundbor
g
Add TNG writing
a
nd rea
d
in
g
support
commit
|
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|
tree
2013-10-29
Magnus Lund
b
org
F
ixed m
e
mory leak i
n
gmxdump
.
commit
|
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|
tree
2013-09-02
Magnus Lundborg
Set upper case of F
F
TW variable at the right
p
lace
.
commit
|
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|
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2013-04-29
Magnus
Lundbo
r
g
Fixes "Funct
i
on type U
-
B not
i
mplemented in ip_pert
.
"
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|
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|
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