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Write lambdas and box to TNG at correct intervals
2018-06-04
Magnus Lundbo
r
g
Writ
e
lambdas and box to TNG at
cor
r
ect intervals
commit
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commitdiff
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tree
2018-03-29
Magnus Lundbo
r
g
Impr
o
v
ed check of
i
f
only forc
e
s are computed
i
n
d
o_pairs
(
)
commit
|
commitdiff
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tree
2017-12-05
M
a
gnus Lun
d
borg
SIM
D
acceler
a
ted Urey-Brad
l
ey
commit
|
commitdiff
|
tree
2017-11-18
Magnus Lu
n
dborg
Added Magnus Lundborg as c
o
ntribu
t
or in th
e
manual
.
Added
Magnus Lundborg
as contributor in the manual.
commit
|
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tree
2017-11-08
Magnus Lu
n
dborg
U
pda
t
e
to TNG v 1
.
8
.
1
commit
|
commitdiff
|
tree
2017-10-13
Magnus L
u
ndborg
Do no
t
include header
s
r
e
lated t
o
Obser
v
ablesHistory
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|
commitdiff
|
tree
2017-10-03
M
a
g
nu
s
Lundbor
g
W
rite
a
tom masses a
n
d
p
a
rtial cha
r
ges to TNG
commit
|
commitdiff
|
tree
2017-06-11
M
agnus
Lundborg
Updated TNG to version 1
.
8
commit
|
commitdiff
|
tree
2015-12-05
Mag
n
us
Lundborg
Write for
c
es a
n
d ve
l
o
cities to compresse
d
TNG
.
commit
|
commitdiff
|
tree
2015-11-30
Magnus
Lundborg
Fixed typ
o
s in output
.
commit
|
commitdiff
|
tree
2015-11-25
Magnu
s
Lundborg
Use local
v
ariables instead of t
h
ose in *ir
.
commit
|
commitdiff
|
tree
2015-06-24
Magnus L
u
ndborg
U
p
date he
a
d
er w
h
en appending to T
N
G file
.
commit
|
commitdiff
|
tree
2015-06-12
Magnus
L
undborg
TNG ve
r
s
i
o
n
1
.
7
.
6
commit
|
commitdiff
|
tree
2015-05-16
Magnus Lundborg
T
N
G
version 1
.
7
.
5
commit
|
commitdiff
|
tree
2015-04-21
Magnu
s
Lundborg
TNG ve
r
sion 1
.
7
.
3
commit
|
commitdiff
|
tree
2014-11-24
Ma
g
nus
L
undborg
When w
r
iting TN
G
t
h
e
i
n
p
ut mu
s
t contain molecule data
.
commit
|
commitdiff
|
tree
2014-09-02
Magnus Lundborg
TNG Fix fo
r
GMX_DOUB
L
E builds and
whe
r
e Z
L
IB is not
.
.
.
commit
|
commitdiff
|
tree
2014-09-02
Magnus Lundborg
Fix data bl
o
ck len
g
th when uncom
p
r
e
ssin
g
T
NG
d
ata
.
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|
commitdiff
|
tree
2014-09-01
Magnus L
u
n
dborg
TNG
:
Handl
e
lar
g
e
f
iles on 32
b
it
s
ystems
.
commit
|
commitdiff
|
tree
2014-09-01
Mag
n
us Lund
b
o
rg
W
h
en w
r
iting TNG in
c
lud
e
fil
e
closin
g
i
n wallcycle
.
commit
|
commitdiff
|
tree
2014-08-21
Magnus Lundborg
F
ixed TNG memory alignm
e
nt problem and
reset pointers
.
commit
|
commitdiff
|
tree
2014-07-05
Magnus Lundborg
Fix bug causing reading
n
ext f
r
ame not to s
t
op
.
commit
|
commitdiff
|
tree
2014-07-05
M
a
gnus Lu
n
dbor
g
F
i
x tng_nu
m
_
frame_sets_g
e
t() wi
t
h no f
r
ame
s
ets
.
commit
|
commitdiff
|
tree
2014-06-28
Magnus Lundborg
Update T
N
G b
u
ild syste
m
commit
|
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|
tree
2014-06-24
Magnus
Lun
d
borg
Imp
r
oved
c
heck t
o
d
ecide if to a
d
d chain/residue
.
commit
|
commitdiff
|
tree
2014-06-19
Magnus
L
undborg
Bump
e
d t
h
e
T
NG
lib
r
ary to the la
t
e
s
t
version
.
commit
|
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|
tree
2014-05-31
Magnus Lundborg
Fix bug writing TN
G
output
f
rom dump
.
commit
|
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|
tree
2014-05-31
M
a
g
n
us L
u
ndborg
B
u
g
fix in the TNG librar
y
to imp
r
ove reading
.
commit
|
commitdiff
|
tree
2014-04-24
Magnus
Lundborg
More
e
fficie
n
t
TNG selection group
cr
e
ati
o
n
commit
|
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|
tree
2014-04-16
Magnus Lundbo
r
g
F
i
x
ed
b
ug inverting compression precision
.
commit
|
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|
tree
2014-03-01
Magn
u
s Lundbor
g
Bu
m
p
e
d
TNG
to latest ve
r
sion
.
commit
|
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|
tree
2014-02-13
Magn
u
s Lu
n
d
borg
One
more bump of
t
he TNG version
.
commit
|
commitdiff
|
tree
2014-02-13
Magnus Lundborg
R
e
mo
v
e
d opti
o
n
to use OpenMP with th
e
TNG library
.
commit
|
commitdiff
|
tree
2014-02-12
Magnus Lundbor
g
Enable TNG builds on
Windows
b
y d
e
fault
.
commit
|
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|
tree
2014-02-12
Magnus Lundbo
r
g
Bumpe
d
TNG to
l
atest ver
s
ion
.
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|
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|
tree
2014-02-11
Magnus Lundborg
Add
e
d informat
i
on
a
bou
t
how to cite the TN
G
p
aper
.
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|
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|
tree
2014-01-20
Magnus Lundbor
g
Add TNG writ
i
ng and re
a
ding supp
o
rt
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|
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|
tree
2013-10-29
Magnus Lundb
o
r
g
Fix
e
d
m
e
mory
leak in gmxdump
.
commit
|
commitdiff
|
tree
2013-09-02
Magnu
s
Lundborg
Set
u
p
per case
o
f
FFTW varia
b
le
at the r
i
ght pla
c
e
.
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|
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|
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2013-04-29
Magnus Lundb
o
r
g
Fi
x
es "Function
type U-B not impl
e
mented in ip_pert
.
"
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