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Added trivial const qualifiers
2018-09-07
Ma
g
nus Lundbor
g
Check q pe
r
turbation
w
hen PM
E
on GPU is tested
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|
commitdiff
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tree
2018-06-04
M
agnu
s
Lu
n
d
borg
W
r
ite lam
b
das and box t
o
TNG at correct inte
r
vals
commit
|
commitdiff
|
tree
2018-03-29
Ma
g
n
u
s Lundborg
Improved che
c
k o
f
if only forces
are
c
omputed
in do_pairs()
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|
commitdiff
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tree
2017-12-05
Mag
n
us Lundborg
SIMD ac
c
elerated Urey-Bradle
y
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|
commitdiff
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tree
2017-11-18
Magnus Lund
b
org
A
d
d
e
d Magnus Lundborg a
s
contributor in the manual
.
Added
Magnus Lundborg
as contributor in the manual.
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|
commitdiff
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tree
2017-11-08
Magnus Lun
d
borg
Upda
t
e to TNG v 1
.
8
.
1
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|
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tree
2017-10-13
Magnus Lu
n
d
borg
Do no
t
inclu
d
e h
e
ad
e
rs related to Observa
b
lesHistory
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|
commitdiff
|
tree
2017-10-03
Mag
n
us Lundb
o
rg
W
rite atom masses and par
t
i
al charges to
T
N
G
commit
|
commitdiff
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tree
2017-06-11
Magnus Lundborg
Updat
e
d TNG to version 1
.
8
commit
|
commitdiff
|
tree
2015-12-05
M
a
gnu
s
Lundbo
r
g
Writ
e
force
s
and
v
elocit
i
es to co
m
pr
e
ssed TNG
.
commit
|
commitdiff
|
tree
2015-11-30
Magnus Lund
b
o
rg
F
ixed typos in out
p
ut
.
commit
|
commitdiff
|
tree
2015-11-25
Magnus
L
undborg
Use local
v
a
ri
a
bles instead o
f
those
i
n *i
r
.
commit
|
commitdiff
|
tree
2015-06-24
Magnu
s
L
u
n
dborg
Update header
w
hen appending to TNG file
.
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|
commitdiff
|
tree
2015-06-12
Magnus
L
undborg
TN
G
ve
r
sion 1
.
7
.
6
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|
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|
tree
2015-05-16
M
agnus Lundborg
T
NG v
e
r
sion 1
.
7
.
5
commit
|
commitdiff
|
tree
2015-04-21
Magnu
s
Lund
b
or
g
T
N
G version
1
.
7
.
3
commit
|
commitdiff
|
tree
2014-11-24
M
a
gnus Lundbo
r
g
W
hen w
r
it
i
n
g
TNG the
in
p
ut must
c
ontain m
o
lecule data
.
commit
|
commitdiff
|
tree
2014-09-02
Magnus
Lundborg
TNG Fix for
G
M
X_DOUBLE
b
uild
s
an
d
where ZLIB is
n
ot
.
.
.
commit
|
commitdiff
|
tree
2014-09-02
Magnus Lundborg
Fix da
t
a blo
c
k length wh
e
n uncomp
r
essing T
N
G data
.
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|
commitdiff
|
tree
2014-09-01
Magnu
s
Lundborg
TNG
:
Ha
n
dle large f
i
l
e
s
on 32 bit s
y
s
te
m
s
.
commit
|
commitdiff
|
tree
2014-09-01
Magnus Lundborg
Wh
e
n wri
t
ing
T
N
G includ
e
f
ile closing in wallcycle
.
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|
commitdiff
|
tree
2014-08-21
Mag
n
us Lu
n
dborg
Fixed T
N
G
memo
r
y alignment pr
o
blem and reset pointers
.
commit
|
commitdiff
|
tree
2014-07-05
Magnus Lundborg
Fix bug
causin
g
re
a
ding
n
e
x
t frame not to sto
p
.
commit
|
commitdiff
|
tree
2014-07-05
Magnus
Lundborg
Fix tng_nu
m
_
frame_sets_get
(
) wi
t
h no frame
s
e
ts
.
commit
|
commitdiff
|
tree
2014-06-28
Magnus Lund
b
o
rg
Update TNG build sys
t
em
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|
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|
tree
2014-06-24
Magnus Lundborg
Improv
e
d
check to deci
d
e if to add cha
i
n/residue
.
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|
commitdiff
|
tree
2014-06-19
Magnus Lu
n
d
b
o
rg
B
umped the
T
NG
l
i
bra
r
y t
o
th
e
l
a
tes
t
v
ersion
.
commit
|
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|
tree
2014-05-31
Magn
u
s Lun
d
borg
Fix bug writing
TNG output fr
o
m du
m
p
.
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|
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|
tree
2014-05-31
Magnus Lundborg
Bug fix i
n
the TNG libra
r
y to improve reading
.
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|
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|
tree
2014-04-24
Magnus L
u
ndborg
M
ore effici
e
n
t
TNG selection grou
p
creatio
n
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|
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|
tree
2014-04-16
Magnus
L
un
d
bor
g
Fixed
b
u
g inverting compression precision
.
commit
|
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|
tree
2014-03-01
Magnus Lu
n
db
o
rg
Bumped TNG to latest version
.
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|
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|
tree
2014-02-13
Mag
n
us Lundborg
O
n
e
more bump of the
T
NG
version
.
commit
|
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|
tree
2014-02-13
Magnu
s
Lundbor
g
Removed option to use
O
penMP with the
TNG
l
i
brary
.
commit
|
commitdiff
|
tree
2014-02-12
Magnus Lu
n
dborg
En
a
ble
T
N
G
builds o
n
Windows by
d
e
f
ault
.
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|
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|
tree
2014-02-12
Magnus Lundborg
Bump
e
d TNG
t
o late
s
t
ve
r
s
i
on
.
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|
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|
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2014-02-11
Magnus Lundborg
Added information about how to cite the TNG
p
aper
.
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|
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|
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2014-01-20
M
agnus Lundborg
Add TNG writi
n
g and reading suppo
r
t
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|
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2013-10-29
M
a
g
nus
L
undborg
F
ixed memory leak in gmxdump
.
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|
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|
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2013-09-02
Magnus L
u
ndbo
r
g
Set
upper case of FFTW variab
l
e at the
righ
t
p
l
ace
.
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|
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|
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2013-04-29
Magnus Lundborg
Fixes
"Functi
o
n
type
U-B n
o
t implemented in
i
p_pert
.
"
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