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Partial conversion of gmx_domdec_t to C++
2018-06-04
Magnu
s
Lun
d
bo
r
g
Writ
e
lambdas and box to TNG at c
o
rrect inte
r
v
a
l
s
commit
|
commitdiff
|
tree
2018-03-29
Ma
g
n
u
s Lund
b
org
Improve
d
check
of if
o
nly forces
are computed
i
n do_pairs()
commit
|
commitdiff
|
tree
2017-12-05
M
agn
u
s
Lundborg
SIMD accelera
t
ed Urey-Bradley
commit
|
commitdiff
|
tree
2017-11-18
M
agnus Lundb
o
rg
Added Magnus Lundborg as contributor in the m
a
n
u
a
l
.
Added
Magnus Lundborg
as contributor in the manual.
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|
commitdiff
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tree
2017-11-08
M
agnus Lu
n
dborg
Upd
a
te
t
o TNG v 1
.
8
.
1
commit
|
commitdiff
|
tree
2017-10-13
Magnu
s
L
undborg
Do not include headers related to Observa
b
lesHistory
commit
|
commitdiff
|
tree
2017-10-03
Magnus Lundborg
Write atom masses and pa
r
tia
l
charges to T
N
G
commit
|
commitdiff
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tree
2017-06-11
Magnus Lundborg
U
p
d
a
ted
T
N
G to
v
ersi
o
n 1
.
8
commit
|
commitdiff
|
tree
2015-12-05
Magn
u
s
Lundborg
Write forces and
v
e
lociti
e
s to com
p
ressed
T
NG
.
commit
|
commitdiff
|
tree
2015-11-30
M
a
gnus Lundbo
r
g
Fi
x
ed typ
o
s in output
.
commit
|
commitdiff
|
tree
2015-11-25
Magnus
Lundborg
Use local varia
b
les instead o
f
those in
*
ir
.
commit
|
commitdiff
|
tree
2015-06-24
Magnus Lundb
o
rg
Up
d
ate heade
r
when appen
d
i
ng to
TN
G
file
.
commit
|
commitdiff
|
tree
2015-06-12
Ma
g
nus Lundborg
TNG version 1
.
7
.
6
commit
|
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|
tree
2015-05-16
Magnus Lundbor
g
TNG version 1
.
7
.
5
commit
|
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tree
2015-04-21
M
agn
u
s Lundborg
T
NG version
1
.
7
.
3
commit
|
commitdiff
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tree
2014-11-24
M
agnus Lundborg
When writin
g
TNG the
input m
u
st contain mo
l
e
cule data
.
commit
|
commitdiff
|
tree
2014-09-02
Magnus Lundborg
T
N
G Fix for
G
MX_DOUBL
E
build
s
and where ZLIB is not
.
.
.
commit
|
commitdiff
|
tree
2014-09-02
Magnus Lundborg
F
i
x
d
ata block
l
ength when uncomp
r
essing TNG
d
ata
.
commit
|
commitdiff
|
tree
2014-09-01
M
agnus
L
undborg
TNG: Handle large files on
3
2 bit
s
ystems
.
commit
|
commitdiff
|
tree
2014-09-01
Mag
n
u
s
Lun
d
borg
When writing TNG include fi
l
e closing
i
n wall
c
ycle
.
commit
|
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tree
2014-08-21
Magnus Lund
b
org
F
i
x
e
d
TNG
m
emory alignment pr
o
blem a
n
d reset
p
oint
e
rs
.
commit
|
commitdiff
|
tree
2014-07-05
Magnus Lundborg
Fi
x
b
ug causing read
i
ng
nex
t
f
rame
n
ot to s
t
op
.
commit
|
commitdiff
|
tree
2014-07-05
Mag
n
us
Lundbor
g
Fix
t
ng_num_frame_s
e
ts_get() with no frame s
e
ts
.
commit
|
commitdiff
|
tree
2014-06-28
Ma
g
nus
L
undborg
Update T
N
G buil
d
system
commit
|
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|
tree
2014-06-24
Magnus L
u
n
dborg
Improved
c
heck t
o
decide if to add chain/
r
esidue
.
commit
|
commitdiff
|
tree
2014-06-19
Magnus Lundbor
g
Bumped
the TNG library to th
e
latest vers
i
on
.
commit
|
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tree
2014-05-31
Magnus Lund
b
org
Fix bug
w
riting TNG output
f
r
o
m d
u
mp
.
commit
|
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|
tree
2014-05-31
Magnus Lundborg
Bug fix in
t
h
e TNG libra
r
y
to im
p
rov
e
r
eading
.
commit
|
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|
tree
2014-04-24
Magnus Lundbor
g
More efficie
n
t TNG se
l
ection group
cr
e
at
i
on
commit
|
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|
tree
2014-04-16
M
a
gnus Lundborg
F
ixed b
u
g inverting compres
s
ion precision
.
commit
|
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|
tree
2014-03-01
Magnus L
u
ndborg
Bumped
TNG
t
o lat
e
st ve
r
sion
.
commit
|
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|
tree
2014-02-13
Magn
u
s Lundborg
One more bump
o
f the
TNG version
.
commit
|
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|
tree
2014-02-13
Ma
g
nus Lun
d
b
o
rg
Rem
o
ved option to use
O
penMP with
t
h
e
TN
G
library
.
commit
|
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|
tree
2014-02-12
Magnus Lundborg
Enable TNG builds on Windows by
default
.
commit
|
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|
tree
2014-02-12
Ma
g
nus Lundborg
Bumped TNG to latest
v
ersion
.
commit
|
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|
tree
2014-02-11
Magnus Lundborg
A
d
d
e
d i
n
formation abou
t
ho
w
to cit
e
the TNG p
a
per
.
commit
|
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|
tree
2014-01-20
Mag
n
us Lundborg
Ad
d
TNG
writin
g
a
n
d reading su
p
port
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|
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|
tree
2013-10-29
Magn
u
s L
u
ndb
o
r
g
Fixed memory le
a
k in gmx
d
ump
.
commit
|
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|
tree
2013-09-02
Magnus Lundbo
r
g
S
e
t upper ca
s
e of FFTW variable
at the right place
.
commit
|
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|
tree
2013-04-29
Magnu
s
Lund
b
org
Fixes "Function t
y
pe
U
-B not implemented
i
n ip_pert
.
"
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|
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