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Improved check of if only forces are computed in do_pairs()
2018-03-29
Magnu
s
Lundborg
I
mprov
e
d c
h
ec
k
of i
f
o
n
ly forces are computed in do_p
a
irs()
commit
|
commitdiff
|
tree
2017-12-05
Magn
u
s Lundbor
g
SIMD
accelerated Ur
e
y
-
B
radley
commit
|
commitdiff
|
tree
2017-11-18
Magnus Lund
b
org
Added Magn
u
s Lun
d
borg as cont
r
ibutor
in
the man
u
al
.
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|
commitdiff
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tree
2017-11-08
Magnus Lun
d
borg
Update to TNG v 1
.
8
.
1
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|
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tree
2017-10-13
Magn
u
s Lu
n
d
b
o
r
g
Do not in
c
lude h
e
a
ders r
e
lat
e
d
t
o
Ob
s
ervablesHis
t
ory
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|
commitdiff
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tree
2017-10-03
M
agnus Lu
n
dborg
Write atom masses a
n
d partial ch
a
rges to T
N
G
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|
commitdiff
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tree
2017-06-11
M
agnus Lundb
o
rg
U
p
dated TNG to ve
r
sion 1
.
8
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|
commitdiff
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tree
2015-12-05
M
a
gn
u
s
L
un
d
borg
Write forces an
d
velocities
to compre
s
sed
T
N
G
.
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|
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|
tree
2015-11-30
Magnus
L
undborg
Fixed typ
o
s i
n
output
.
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|
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tree
2015-11-25
Magnus
L
un
d
borg
Use local
varia
b
les instead of t
h
o
se
i
n *ir
.
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|
commitdiff
|
tree
2015-06-24
Magnus Lu
n
d
b
org
Update header
when appen
d
ing to T
N
G file
.
commit
|
commitdiff
|
tree
2015-06-12
Mag
n
us Lundbor
g
TNG version 1
.
7
.
6
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|
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tree
2015-05-16
Magnus Lundborg
TNG v
e
r
s
ion 1
.
7
.
5
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tree
2015-04-21
M
agnu
s
Lun
d
borg
TNG
versi
o
n
1
.
7
.
3
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2014-11-24
Ma
g
nus Lundborg
When writing TNG the
inp
u
t must c
o
ntain molecule da
t
a
.
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|
commitdiff
|
tree
2014-09-02
M
a
gnus
L
u
ndborg
T
N
G
Fix fo
r
GMX_DOUBLE b
u
ilds
a
n
d
where ZLIB is not
.
.
.
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|
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|
tree
2014-09-02
Magnus Lundborg
Fix data b
l
ock
l
ength wh
e
n uncompressing TNG data
.
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|
commitdiff
|
tree
2014-09-01
Magnus
Lun
d
borg
TNG: Ha
n
dle
l
arge files on 32 bi
t
systems
.
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|
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|
tree
2014-09-01
Magnus Lundbor
g
When writin
g
T
N
G inclu
d
e fil
e
c
l
o
s
ing i
n
wallcycle
.
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|
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|
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2014-08-21
Magnus Lundbo
r
g
Fi
x
ed TNG
memory
a
lignment probl
e
m and re
s
et
p
ointers
.
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|
commitdiff
|
tree
2014-07-05
M
a
gnus Lundborg
Fix bug
c
a
using reading next frame
not to stop
.
commit
|
commitdiff
|
tree
2014-07-05
Magnus Lundborg
F
ix tng_nu
m
_frame_
s
e
t
s
_
get() with no fr
a
me sets
.
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|
commitdiff
|
tree
2014-06-28
Magnus Lundborg
U
p
date TNG build system
commit
|
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|
tree
2014-06-24
Magnus Lundborg
Improved check to decide if
t
o
add
chain/r
e
sidue
.
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|
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|
tree
2014-06-19
Magnus L
u
n
d
b
o
r
g
Bu
m
ped t
h
e
TN
G
librar
y
to
t
h
e
latest version
.
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|
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|
tree
2014-05-31
Magnus Lundbo
r
g
Fix bug writin
g
TNG output from dump
.
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|
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2014-05-31
M
a
gnus Lundborg
B
ug fix in the TNG libra
r
y to improve
r
e
ading
.
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|
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|
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2014-04-24
Magnus Lundborg
More e
f
ficient TNG sel
e
ction group creati
o
n
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|
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2014-04-16
Magnus Lundborg
F
i
x
e
d bu
g
invert
i
ng
comp
r
e
ssi
o
n precision
.
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|
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2014-03-01
M
agnus Lundborg
Bumped TNG
t
o
l
ates
t
version
.
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|
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|
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2014-02-13
Magnus Lundborg
One more
bump of the TN
G
versi
o
n
.
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|
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|
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2014-02-13
M
ag
n
us Lu
n
dborg
Removed option to use Ope
n
MP with
the TNG li
b
r
a
ry
.
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|
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|
tree
2014-02-12
M
a
gnus Lundb
o
r
g
Enable TNG builds on W
i
ndows by d
e
f
a
ul
t
.
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|
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|
tree
2014-02-12
Magnus
L
undborg
Bumpe
d
TNG to latest versi
o
n
.
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|
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|
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2014-02-11
Magnus Lundborg
Add
e
d information abo
u
t how to cite the TNG pa
p
er
.
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|
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|
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2014-01-20
M
a
g
nus Lundbo
r
g
Add T
N
G writing
a
nd r
e
adin
g
su
p
po
r
t
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|
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|
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2013-10-29
Magnus Lundborg
Fixed memory le
a
k i
n
gmxdump
.
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|
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2013-09-02
Mag
n
us Lundborg
Se
t
upper case of FFT
W
variable at the rig
h
t
place
.
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|
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2013-04-29
Magnus Lun
d
borg
Fixes
"
F
u
nction type U-B not
i
mpl
e
mented
in ip_pert
.
"
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