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Only issue FFT warning messages on changes
2017-11-08
Magnus Lundborg
U
pdate to T
N
G
v 1
.
8
.
1
commit
|
commitdiff
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tree
2017-10-13
Magnu
s
Lu
n
dborg
Do no
t
include head
e
rs relat
e
d to Observ
a
ble
s
History
commit
|
commitdiff
|
tree
2017-10-03
Magnus
Lundborg
W
r
ite
atom mas
s
e
s and par
t
ial
c
h
a
rg
e
s
t
o TNG
commit
|
commitdiff
|
tree
2017-06-11
Magnus
L
u
n
dborg
Updated
T
N
G
to
version 1
.
8
commit
|
commitdiff
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tree
2015-12-05
Magnus Lundborg
Write forces and velocities to co
m
pressed TNG
.
commit
|
commitdiff
|
tree
2015-11-30
M
agnus
L
undborg
F
i
xed typos in
output
.
commit
|
commitdiff
|
tree
2015-11-25
Magnus Lundb
o
r
g
Us
e
l
oc
a
l varia
b
les i
n
s
t
ead o
f
those in *
i
r
.
commit
|
commitdiff
|
tree
2015-06-24
M
a
gnus Lundbor
g
Update header when
a
p
pen
d
ing t
o
TNG file
.
commit
|
commitdiff
|
tree
2015-06-12
M
agnus Lun
d
b
o
rg
TNG version 1
.
7
.
6
commit
|
commitdiff
|
tree
2015-05-16
Magn
u
s Lundborg
TNG versio
n
1
.
7
.
5
commit
|
commitdiff
|
tree
2015-04-21
Ma
g
nus Lundborg
TNG version 1
.
7
.
3
commit
|
commitdiff
|
tree
2014-11-24
Magnus
L
undb
o
rg
When
w
riting T
N
G
t
he
input
m
u
st contain
mol
e
cul
e
dat
a
.
commit
|
commitdiff
|
tree
2014-09-02
M
a
gnus Lundborg
T
N
G
F
ix for GMX_DOUBL
E
builds an
d
w
h
ere Z
L
IB
is n
o
t
.
.
.
commit
|
commitdiff
|
tree
2014-09-02
Mag
n
us Lundborg
Fix data block length when uncompres
s
ing TNG d
a
ta
.
commit
|
commitdiff
|
tree
2014-09-01
M
a
gnus Lundborg
TNG: Handle large f
i
les on 32 bit
s
yst
e
ms
.
commit
|
commitdiff
|
tree
2014-09-01
M
a
gnus Lun
d
borg
Wh
e
n writing TN
G
i
n
c
l
u
de fi
l
e
closing
in
wallcycle
.
commit
|
commitdiff
|
tree
2014-08-21
Magnus Lundbor
g
Fix
e
d T
N
G memory alignm
e
nt
p
r
oblem and reset pointers
.
commit
|
commitdiff
|
tree
2014-07-05
Magnus
L
undb
o
rg
Fix bug
c
a
u
sing
reading next frame n
o
t to stop
.
commit
|
commitdiff
|
tree
2014-07-05
M
a
gnus L
u
ndborg
F
i
x tng_num_fram
e
_sets_get() with
n
o f
r
ame sets
.
commit
|
commitdiff
|
tree
2014-06-28
Magnu
s
Lundborg
U
p
date
TNG
buil
d
s
y
s
t
em
commit
|
commitdiff
|
tree
2014-06-24
Magnus
L
undb
o
rg
Impr
o
ved check
to
decide if to
add chai
n
/resi
d
ue
.
commit
|
commitdiff
|
tree
2014-06-19
M
a
gnus
L
u
ndborg
Bumped the TNG lib
r
ary to
t
he latest version
.
commit
|
commitdiff
|
tree
2014-05-31
M
agnus Lu
n
dborg
F
i
x bug writing TNG
output from dump
.
commit
|
commitdiff
|
tree
2014-05-31
Ma
g
n
us Lund
b
o
r
g
Bug fix in the
TNG
library to improve
readi
n
g
.
commit
|
commitdiff
|
tree
2014-04-24
Magnus Lundborg
M
ore e
f
ficien
t
TNG
s
electi
o
n gro
u
p
c
re
a
t
ion
commit
|
commitdiff
|
tree
2014-04-16
Magnus Lundborg
Fixed bug inver
t
ing compre
s
sio
n
precision
.
commit
|
commitdiff
|
tree
2014-03-01
Magnus Lundborg
Bumped TNG to
l
atest version
.
commit
|
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|
tree
2014-02-13
Magnus Lundborg
One more bump of the T
N
G ve
r
sion
.
commit
|
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|
tree
2014-02-13
M
a
gnu
s
Lun
d
borg
Re
m
oved option to
u
se
O
p
enMP with the TNG lib
r
ary
.
commit
|
commitdiff
|
tree
2014-02-12
Ma
g
nus Lundborg
E
n
able TNG builds on Win
d
ows by default
.
commit
|
commitdiff
|
tree
2014-02-12
Magnus Lu
n
dbo
r
g
Bumped TNG to latest version
.
commit
|
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|
tree
2014-02-11
Magnus Lundbo
r
g
A
d
ded i
n
fo
r
mation
a
bout
h
ow to cite the TNG
paper
.
commit
|
commitdiff
|
tree
2014-01-20
M
a
gnus
L
un
d
bor
g
Add TNG wr
i
ti
n
g a
n
d
r
eading suppor
t
commit
|
commitdiff
|
tree
2013-10-29
Magnus Lundborg
Fi
x
ed mem
o
r
y
leak
i
n
gmxd
u
mp
.
commit
|
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|
tree
2013-09-02
Magnus Lundborg
Set
u
pper case of
F
FTW variable at the right place
.
commit
|
commitdiff
|
tree
2013-04-29
Magnus Lundborg
F
ixes "F
u
nction type U-B
n
ot impl
e
men
t
ed in ip_pe
r
t
.
"
commit
|
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