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Add post-submit with ARM HPC Toolchain
2018-03-29
M
a
gnu
s
Lun
d
borg
Improved chec
k
of if only fo
r
ces are computed i
n
do_pair
s
(
)
commit
|
commitdiff
|
tree
2017-12-05
Magn
u
s Lundborg
SIMD
a
cc
e
le
r
a
t
e
d
Urey-Bradley
commit
|
commitdiff
|
tree
2017-11-18
Magnus Lundborg
Added Magnus
Lun
d
b
o
rg a
s
c
ontr
i
butor in the manual
.
Added
Magnus Lundborg
as contributor in the manual.
commit
|
commitdiff
|
tree
2017-11-08
Magnus Lundborg
Update to TNG v
1
.
8
.
1
commit
|
commitdiff
|
tree
2017-10-13
Magnus Lundborg
Do no
t
include headers related to ObservablesHist
o
ry
commit
|
commitdiff
|
tree
2017-10-03
Magnus Lund
b
o
r
g
Wri
t
e atom masses and
partial charg
e
s to
T
NG
commit
|
commitdiff
|
tree
2017-06-11
Magnus Lundborg
U
p
dated
TNG to version 1
.
8
commit
|
commitdiff
|
tree
2015-12-05
Magnu
s
L
u
ndborg
W
rite
for
c
es and velocities to compressed
T
NG
.
commit
|
commitdiff
|
tree
2015-11-30
Mag
n
u
s Lundborg
Fixed
t
y
pos in outpu
t
.
commit
|
commitdiff
|
tree
2015-11-25
M
a
gnus Lund
b
org
Use local va
r
iables
instead of those in *
i
r
.
commit
|
commitdiff
|
tree
2015-06-24
Magnus Lundborg
Update header when ap
p
e
nding to TNG file
.
commit
|
commitdiff
|
tree
2015-06-12
M
a
gnus
Lundborg
T
N
G ver
s
ion 1
.
7
.
6
commit
|
commitdiff
|
tree
2015-05-16
Mag
n
us Lundborg
TNG
v
ersion
1
.
7
.
5
commit
|
commitdiff
|
tree
2015-04-21
Magnus L
u
ndborg
TNG
vers
i
on 1
.
7
.
3
commit
|
commitdiff
|
tree
2014-11-24
Magnus
Lun
d
borg
W
hen wr
i
ti
n
g TNG
the i
n
p
ut
m
ust contain molecu
l
e d
a
ta
.
commit
|
commitdiff
|
tree
2014-09-02
Magnus
Lundborg
TNG Fix for GMX_D
O
U
B
LE builds an
d
where ZLI
B
is not
.
.
.
commit
|
commitdiff
|
tree
2014-09-02
Magn
u
s
Lun
d
borg
Fix data block length
w
hen uncompressing TNG data
.
commit
|
commitdiff
|
tree
2014-09-01
Magnus Lundborg
T
N
G: Handle large
f
iles o
n
32 bi
t
systems
.
commit
|
commitdiff
|
tree
2014-09-01
Magnus
L
und
b
org
W
hen writing TNG inclu
d
e file clos
i
ng in
wallc
y
cle
.
commit
|
commitdiff
|
tree
2014-08-21
M
a
gnus Lundborg
Fixed TNG
m
e
mory align
m
ent problem and rese
t
pointers
.
commit
|
commitdiff
|
tree
2014-07-05
Magn
u
s Lundborg
F
i
x
b
ug
causing re
a
din
g
next
frame
not to stop
.
commit
|
commitdiff
|
tree
2014-07-05
Magnus Lundborg
Fix
t
n
g
_num_frame_sets
_
get() with no frame sets
.
commit
|
commitdiff
|
tree
2014-06-28
Magnus
L
u
ndborg
U
p
date TNG
bui
l
d sy
s
tem
commit
|
commitdiff
|
tree
2014-06-24
Magnus
L
undborg
Improved check to
d
ec
i
de if to add ch
a
in/residue
.
commit
|
commitdiff
|
tree
2014-06-19
Magnus Lundborg
Bumped t
h
e TNG library to t
h
e la
t
est v
e
rsion
.
commit
|
commitdiff
|
tree
2014-05-31
Magnus Lundborg
Fix bug w
r
it
i
ng TNG output from du
m
p
.
commit
|
commitdiff
|
tree
2014-05-31
M
ag
n
us Lun
d
bor
g
Bug fi
x
i
n the TNG lib
r
ary
t
o improve reading
.
commit
|
commitdiff
|
tree
2014-04-24
Magnus Lundb
o
rg
Mo
r
e efficient TNG s
e
lection
g
roup
cr
e
at
i
on
commit
|
commitdiff
|
tree
2014-04-16
Magnus Lundborg
Fixed bu
g
inver
t
ing
c
ompression precis
i
o
n
.
commit
|
commitdiff
|
tree
2014-03-01
Mag
n
us L
u
ndbor
g
Bumped TNG to latest version
.
commit
|
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|
tree
2014-02-13
M
agnu
s
Lundbor
g
One
more bum
p
of
the T
N
G version
.
commit
|
commitdiff
|
tree
2014-02-13
Magn
u
s
Lund
b
org
Re
m
o
ved opt
i
on t
o
use OpenMP with
t
he TN
G
library
.
commit
|
commitdiff
|
tree
2014-02-12
M
a
gnus Lundborg
Enable TNG b
u
ilds on Windows
b
y
default
.
commit
|
commitdiff
|
tree
2014-02-12
Mag
n
us Lundbor
g
Bumped TNG to la
t
est version
.
commit
|
commitdiff
|
tree
2014-02-11
Magnus L
u
ndborg
A
dded in
f
orm
a
tion about
h
ow to c
i
te the TNG paper
.
commit
|
commitdiff
|
tree
2014-01-20
M
agnus Lundborg
A
d
d
TNG writing and
r
e
a
ding sup
p
o
r
t
commit
|
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|
tree
2013-10-29
M
a
g
n
us
L
undborg
Fixed memory leak in gmxd
u
m
p
.
commit
|
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|
tree
2013-09-02
Magnus Lundborg
S
et upper case of FFTW variab
l
e at t
h
e right plac
e
.
commit
|
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|
tree
2013-04-29
M
a
gnu
s
Lundborg
Fixes "Func
t
ion type
U-B not
i
mpl
e
me
n
ted in
i
p_pe
r
t
.
"
commit
|
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