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Cosmetic fixes to mdp documentation
2018-03-29
Magnus Lundborg
Im
p
roved check of
i
f only forces
a
re c
o
m
puted in do
_
p
airs()
commit
|
commitdiff
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tree
2017-12-05
Magnus L
u
ndborg
SIMD
accelerated
U
rey-Bradle
y
commit
|
commitdiff
|
tree
2017-11-18
Magnus
Lundborg
A
dded
Magnus Lundborg as contri
b
utor in the
m
a
nual
.
Added
Magnus Lundborg
as contributor in the manual.
commit
|
commitdiff
|
tree
2017-11-08
Ma
g
nus Lun
d
borg
Update to
TNG v 1
.
8
.
1
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|
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|
tree
2017-10-13
Magnus
L
undbor
g
Do not
include headers re
l
at
e
d to Obse
r
v
ablesHistor
y
commit
|
commitdiff
|
tree
2017-10-03
Magnus Lun
d
borg
W
r
it
e
a
tom m
a
ss
e
s and pa
r
tia
l
charges
t
o TNG
commit
|
commitdiff
|
tree
2017-06-11
Magnus Lun
d
borg
Updated TNG to version 1
.
8
commit
|
commitdiff
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tree
2015-12-05
Magnus Lundborg
W
rite
f
orces and ve
l
ocities to c
o
m
p
ress
e
d TN
G
.
commit
|
commitdiff
|
tree
2015-11-30
Magnus
Lundborg
F
i
xed
t
y
pos in output
.
commit
|
commitdiff
|
tree
2015-11-25
M
a
gnus
L
undborg
Use loc
a
l
variable
s
inste
a
d of
those in *ir
.
commit
|
commitdiff
|
tree
2015-06-24
Ma
g
nus Lundborg
Update hea
d
er when appending to
T
NG file
.
commit
|
commitdiff
|
tree
2015-06-12
Ma
g
nus Lundbor
g
TNG
v
ersion 1
.
7
.
6
commit
|
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tree
2015-05-16
Mag
n
u
s
Lundborg
TNG version 1
.
7
.
5
commit
|
commitdiff
|
tree
2015-04-21
Magnu
s
Lundborg
TNG version 1
.
7
.
3
commit
|
commitdiff
|
tree
2014-11-24
Magnus Lu
n
dborg
When writing T
N
G the i
n
put
m
ust contain m
o
lecule data
.
commit
|
commitdiff
|
tree
2014-09-02
Magnu
s
Lundborg
TNG Fi
x
for GMX_DOUBLE bu
i
lds and where ZLIB is not
.
.
.
commit
|
commitdiff
|
tree
2014-09-02
Ma
g
nus Lundborg
Fix data block le
n
gth when un
c
o
m
pressing TNG data
.
commit
|
commitdiff
|
tree
2014-09-01
Magnus L
u
ndborg
TNG: Hand
l
e
la
r
ge files
on 32 bit
s
yste
m
s
.
commit
|
commitdiff
|
tree
2014-09-01
M
agnus Lundborg
W
he
n
writing TNG in
c
lude file clo
s
ing in wallcycle
.
commit
|
commitdiff
|
tree
2014-08-21
Magnu
s
Lundbo
r
g
Fixed TNG memory alignment proble
m
and
rese
t
pointers
.
commit
|
commitdiff
|
tree
2014-07-05
Magnus Lundbo
r
g
Fix bug ca
u
sing reading
next f
r
a
m
e not
to stop
.
commit
|
commitdiff
|
tree
2014-07-05
Magnus Lundborg
Fi
x
tng_num_frame_
s
ets_get() with no frame se
t
s
.
commit
|
commitdiff
|
tree
2014-06-28
Magnus Lund
b
org
Update TNG
b
u
ild system
commit
|
commitdiff
|
tree
2014-06-24
Magnus Lundborg
Improved c
h
eck to
decide
i
f to add chain/residue
.
commit
|
commitdiff
|
tree
2014-06-19
Magnus Lu
n
dborg
Bu
m
ped the TNG library to the l
a
test version
.
commit
|
commitdiff
|
tree
2014-05-31
Magnus
L
undborg
Fix bug
w
rit
i
ng
TN
G
output from dump
.
commit
|
commitdiff
|
tree
2014-05-31
Magnus Lundborg
Bug fix in
t
h
e TNG
l
ibrary to impr
o
ve reading
.
commit
|
commitdiff
|
tree
2014-04-24
M
a
gnus Lundbor
g
M
ore efficient TNG select
i
on group creation
commit
|
commitdiff
|
tree
2014-04-16
M
a
g
nus
Lundbo
r
g
Fix
e
d bug i
n
verting
c
ompres
s
i
o
n precisi
o
n
.
commit
|
commitdiff
|
tree
2014-03-01
Magnus Lund
b
o
r
g
Bumped
T
NG
to
l
atest version
.
commit
|
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|
tree
2014-02-13
Magnus Lundborg
One
m
ore bump of the TNG vers
i
on
.
commit
|
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|
tree
2014-02-13
Mag
n
us Lundborg
Removed option to use OpenMP with the
TNG library
.
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|
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|
tree
2014-02-12
Magnus Lundborg
En
a
ble TNG builds on Windo
w
s by default
.
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|
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|
tree
2014-02-12
Magnus Lundborg
Bum
p
ed TNG to la
t
est vers
i
on
.
commit
|
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|
tree
2014-02-11
Magnus Lund
b
org
Added informati
o
n about how to cite the TNG paper
.
commit
|
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|
tree
2014-01-20
Ma
g
nus L
u
n
d
borg
Add TNG writi
n
g and reading support
commit
|
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|
tree
2013-10-29
Mag
n
us Lu
n
dborg
Fixed
memory l
e
ak in gm
x
dump
.
commit
|
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|
tree
2013-09-02
Magnus Lundborg
Set upper
case of FFTW
v
ariable at
the right
place
.
commit
|
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|
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2013-04-29
Mag
n
u
s Lundborg
Fixe
s
"Functi
o
n t
y
pe
U
-B n
o
t
implemented i
n
ip_pert
.
"
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