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Fixes a bug in pull group size calculation
2018-09-21
Magnus Lu
n
dborg
Fi
x
e
s a bug in pull group
size calcul
a
tio
n
commit
|
commitdiff
|
tree
2018-09-07
Magnus
Lun
d
borg
Chec
k
q perturbation
when PME
o
n GPU is teste
d
commit
|
commitdiff
|
tree
2018-06-04
Magnus Lundborg
Write lambdas
a
nd
b
ox
t
o
TNG at corr
e
ct inter
v
als
commit
|
commitdiff
|
tree
2018-03-29
M
a
g
nus Lundborg
Improved check of if only forces are compu
t
ed in do
_
pairs()
commit
|
commitdiff
|
tree
2017-12-05
Ma
g
n
us Lundborg
SI
M
D
a
ccele
r
ated Urey-Brad
l
ey
commit
|
commitdiff
|
tree
2017-11-18
M
a
g
n
us Lundborg
Added Ma
g
nus Lundborg
a
s contributor in th
e
m
a
nual
.
commit
|
commitdiff
|
tree
2017-11-08
Magnus Lundborg
U
p
d
ate to
T
NG
v
1
.
8
.
1
commit
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commitdiff
|
tree
2017-10-13
Magnus L
u
ndborg
Do not include
he
a
ders related t
o
Observ
a
blesH
i
story
commit
|
commitdiff
|
tree
2017-10-03
Magnus Lundborg
Write
a
t
om masses and parti
a
l
charges
t
o
T
NG
commit
|
commitdiff
|
tree
2017-06-11
Magnus Lundborg
Updated TNG to version
1
.
8
commit
|
commitdiff
|
tree
2015-12-05
Ma
g
nus
L
undborg
Write
f
orces a
n
d v
e
locities to com
p
r
essed TNG
.
commit
|
commitdiff
|
tree
2015-11-30
Magnus Lu
n
dborg
Fixed typos in output
.
commit
|
commitdiff
|
tree
2015-11-25
Mag
n
u
s Lundborg
Us
e
loc
a
l variables instead
o
f thos
e
in *ir
.
commit
|
commitdiff
|
tree
2015-06-24
Ma
g
n
u
s Lundborg
Update header when appe
n
d
i
n
g
to T
N
G file
.
commit
|
commitdiff
|
tree
2015-06-12
Magnus Lun
d
borg
TNG version 1
.
7
.
6
commit
|
commitdiff
|
tree
2015-05-16
Magnus Lundborg
TNG version
1
.
7
.
5
commit
|
commitdiff
|
tree
2015-04-21
Mag
n
us L
u
ndborg
T
N
G ver
s
i
o
n 1
.
7
.
3
commit
|
commitdiff
|
tree
2014-11-24
Magnus Lu
n
dborg
When writing
T
NG
the input mus
t
c
ontai
n
mol
e
cule d
a
ta
.
commit
|
commitdiff
|
tree
2014-09-02
M
a
gnus Lundborg
TNG F
i
x for
G
M
X
_DOUBLE bui
l
ds and wh
e
re ZLIB is
not
.
.
.
commit
|
commitdiff
|
tree
2014-09-02
Magnus Lundb
o
rg
F
ix
d
a
t
a
b
l
o
ck length when uncompressing TNG
d
ata
.
commit
|
commitdiff
|
tree
2014-09-01
Magnus Lun
d
borg
TNG:
Handle large files on 3
2
b
it sys
t
ems
.
commit
|
commitdiff
|
tree
2014-09-01
Magnus Lu
n
dborg
When writing
T
NG include f
i
le
closing i
n
wallcycle
.
commit
|
commitdiff
|
tree
2014-08-21
Magnus Lundborg
Fixed
T
NG
m
e
mory align
m
ent
p
r
oblem a
n
d
reset
p
ointers
.
commit
|
commitdiff
|
tree
2014-07-05
M
a
gnus Lu
n
dbor
g
Fix bug causing reading n
e
xt frame not
to stop
.
commit
|
commitdiff
|
tree
2014-07-05
Mag
n
us Lundborg
Fix tng_num_fram
e
_set
s
_
g
et() with no f
r
ame
s
ets
.
commit
|
commitdiff
|
tree
2014-06-28
Magnus Lundb
o
rg
Up
d
ate TN
G
build system
commit
|
commitdiff
|
tree
2014-06-24
Ma
g
nus Lundborg
Imp
r
oved check to decide if to add c
h
ain/resid
u
e
.
commit
|
commitdiff
|
tree
2014-06-19
Ma
g
nus
L
undborg
B
umped
the TNG li
b
r
a
ry
to the lates
t
v
ersion
.
commit
|
commitdiff
|
tree
2014-05-31
M
a
g
nus
L
und
b
org
Fix bug
w
ri
t
ing
T
NG o
u
tput f
r
om dump
.
commit
|
commitdiff
|
tree
2014-05-31
Magnus Lundbor
g
Bug fix in the TNG library to improve read
i
n
g
.
commit
|
commitdiff
|
tree
2014-04-24
Magn
u
s Lundb
o
rg
More
e
f
f
i
c
ient T
N
G selection
group creation
commit
|
commitdiff
|
tree
2014-04-16
Ma
g
nus Lu
n
dbor
g
F
i
xed bug
inverting compression
precision
.
commit
|
commitdiff
|
tree
2014-03-01
Magnus Lundborg
Bumped T
N
G to latest versi
o
n
.
commit
|
commitdiff
|
tree
2014-02-13
Magnus Lundborg
On
e
more bump of the TN
G
version
.
commit
|
commitdiff
|
tree
2014-02-13
Magnu
s
Lundbor
g
R
e
moved opt
i
o
n
t
o
use
O
penMP with the
TNG library
.
commit
|
commitdiff
|
tree
2014-02-12
Magnus Lundborg
Enabl
e
TNG bu
i
lds on Windows by default
.
commit
|
commitdiff
|
tree
2014-02-12
Magnus Lundb
o
rg
Bumped TN
G
to lat
e
st version
.
commit
|
commitdiff
|
tree
2014-02-11
Mag
n
us Lundbo
r
g
Ad
d
ed information abo
u
t how to cite
the TNG
p
aper
.
commit
|
commitdiff
|
tree
2014-01-20
Ma
g
nu
s
Lundborg
Add TNG
w
ri
t
ing
a
n
d re
a
ding
s
upport
commit
|
commitdiff
|
tree
2013-10-29
Magnus Lundborg
Fixed memory
leak in gmx
d
ump
.
commit
|
commitdiff
|
tree
2013-09-02
M
agnus
Lundborg
Set u
p
per case of FFTW variable at the r
i
ght place
.
commit
|
commitdiff
|
tree
2013-04-29
Magn
u
s Lundborg
Fixes "Fu
n
ction type U-
B
not
imple
m
en
t
ed in ip_
p
ert
.
"
commit
|
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