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Only issue FFT warning messages on changes
2017-11-08
Mag
n
us Lundborg
U
pdate to TNG
v 1
.
8
.
1
commit
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commitdiff
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tree
2017-10-13
Magnu
s
Lundborg
Do not
i
n
clude he
a
de
r
s related to
Obser
v
able
s
History
commit
|
commitdiff
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tree
2017-10-03
M
a
g
n
u
s Lundborg
Write
ato
m
ma
s
ses and pa
r
ti
a
l charges to TNG
commit
|
commitdiff
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tree
2017-06-11
Magnus Lund
b
org
U
p
d
at
e
d TNG to version 1
.
8
commit
|
commitdiff
|
tree
2015-12-05
Mag
n
us Lundb
o
rg
Write
f
orces and velo
c
it
i
e
s
to compressed TNG
.
commit
|
commitdiff
|
tree
2015-11-30
Magnus Lun
d
borg
Fixed typos in output
.
commit
|
commitdiff
|
tree
2015-11-25
Magnus Lundb
o
rg
Use l
o
cal vari
a
bles instead of t
h
ose
i
n *ir
.
commit
|
commitdiff
|
tree
2015-06-24
Ma
g
nus Lundborg
Update
h
eader when appen
d
ing to TNG file
.
commit
|
commitdiff
|
tree
2015-06-12
Magnus Lu
n
dbor
g
T
N
G version
1
.
7
.
6
commit
|
commitdiff
|
tree
2015-05-16
M
a
gnus Lundborg
TNG
v
e
rs
i
on 1
.
7
.
5
commit
|
commitdiff
|
tree
2015-04-21
Magn
u
s Lundborg
TNG versio
n
1
.
7
.
3
commit
|
commitdiff
|
tree
2014-11-24
Magnus
Lundborg
Wh
e
n writin
g
TNG
t
h
e
i
nput mu
s
t contain molecul
e
dat
a
.
commit
|
commitdiff
|
tree
2014-09-02
M
agnus
Lundb
o
rg
TNG Fix for GMX_DOUBLE builds
a
nd w
h
ere ZLIB
is not
.
.
.
commit
|
commitdiff
|
tree
2014-09-02
Magnus Lund
b
o
rg
Fix da
t
a bl
o
ck length when u
n
compressing TNG data
.
commit
|
commitdiff
|
tree
2014-09-01
M
agnus
Lu
n
dborg
T
NG: Handle large files on 32 bit syst
e
ms
.
commit
|
commitdiff
|
tree
2014-09-01
M
agnu
s
Lundborg
Wh
e
n writing TNG include file clo
s
ing in
wallcycle
.
commit
|
commitdiff
|
tree
2014-08-21
Magnus L
u
ndborg
Fixed TNG memory alignment pro
b
l
e
m and reset pointers
.
commit
|
commitdiff
|
tree
2014-07-05
M
a
g
n
us Lundborg
Fi
x
bug
c
aus
i
ng reading next
f
rame no
t
t
o
stop
.
commit
|
commitdiff
|
tree
2014-07-05
Magnu
s
Lundborg
Fix
t
n
g
_
n
u
m_fram
e
_
s
e
t
s_
g
e
t
()
w
it
h
no frame sets
.
commit
|
commitdiff
|
tree
2014-06-28
Magnus Lundbo
r
g
Update TNG bu
i
ld system
commit
|
commitdiff
|
tree
2014-06-24
Mag
n
u
s
Lu
n
d
b
o
r
g
Imp
r
oved check to d
e
cide if to add chain/residue
.
commit
|
commitdiff
|
tree
2014-06-19
Magnus Lundborg
Bumped the TNG library to the latest ve
r
sion
.
commit
|
commitdiff
|
tree
2014-05-31
M
a
g
n
u
s
Lundbo
r
g
F
i
x
bug wri
t
i
n
g TNG
o
utp
u
t from dump
.
commit
|
commitdiff
|
tree
2014-05-31
Magn
u
s Lu
n
dborg
Bug fix in the TNG
l
ibrary to improve r
e
adin
g
.
commit
|
commitdiff
|
tree
2014-04-24
M
agnus Lundborg
More
e
f
fic
i
ent T
N
G
s
e
lecti
o
n group crea
t
ion
commit
|
commitdiff
|
tree
2014-04-16
Mag
n
us Lundborg
Fixed bug inverti
n
g c
o
mp
r
ession precision
.
commit
|
commitdiff
|
tree
2014-03-01
M
a
gn
u
s Lundbo
r
g
Bumped TNG
t
o latest v
e
rsion
.
commit
|
commitdiff
|
tree
2014-02-13
Magnus Lu
n
db
o
rg
One
mor
e
bump of the TNG version
.
commit
|
commitdiff
|
tree
2014-02-13
M
a
gnus L
u
n
dborg
R
e
moved opt
i
on to use Open
M
P
w
ith th
e
TNG library
.
commit
|
commitdiff
|
tree
2014-02-12
Magnus
L
undb
o
rg
En
a
ble TNG buil
d
s
on Windows by defau
l
t
.
commit
|
commitdiff
|
tree
2014-02-12
Magnus
Lundborg
Bumped TNG to lat
e
s
t
version
.
commit
|
commitdiff
|
tree
2014-02-11
Magnus Lu
n
dborg
Added informat
i
on about how
to
c
ite the TNG paper
.
commit
|
commitdiff
|
tree
2014-01-20
Magnus Lundb
o
rg
Add TNG writing and
r
e
a
ding support
commit
|
commitdiff
|
tree
2013-10-29
Magnus Lundborg
Fix
e
d memory leak in gmxd
u
m
p
.
commit
|
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|
tree
2013-09-02
M
a
gnu
s
Lun
d
b
o
rg
Set upper
c
ase of FF
T
W v
a
riable
at the right place
.
commit
|
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|
tree
2013-04-29
Magnu
s
L
u
n
d
borg
F
i
xes
"Func
t
ion
t
ype U-
B
not implemented
in ip
_
p
ert
.
"
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|
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