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Allow empty lines in hdb files
2017-12-05
Magnus Lundborg
SIMD a
c
celerated Urey-Bradl
e
y
commit
|
commitdiff
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tree
2017-11-18
Magnus Lun
d
borg
Added
M
a
gnus Lundborg as
con
t
ribut
o
r in
t
he manua
l
.
Added
Magnus Lundborg
as contributor in the manual.
commit
|
commitdiff
|
tree
2017-11-08
Magnus Lu
n
dborg
Update to TNG v
1
.
8
.
1
commit
|
commitdiff
|
tree
2017-10-13
M
ag
n
us Lundborg
Do not incl
u
de
headers
re
l
ated to ObservablesHistory
commit
|
commitdiff
|
tree
2017-10-03
Magnu
s
Lundborg
Write
a
t
o
m
m
a
sses and partial
charges to TNG
commit
|
commitdiff
|
tree
2017-06-11
Magnus
L
u
n
dbor
g
Updated TNG t
o
version 1
.
8
commit
|
commitdiff
|
tree
2015-12-05
M
a
gnu
s
Lundbo
r
g
Write forces
a
nd velocities
t
o comp
r
essed TNG
.
commit
|
commitdiff
|
tree
2015-11-30
Ma
g
nus Lundborg
Fixed typ
o
s in outp
u
t
.
commit
|
commitdiff
|
tree
2015-11-25
Magnus Lundborg
Use local variables instead of those i
n
*
i
r
.
commit
|
commitdiff
|
tree
2015-06-24
Ma
g
nus Lundborg
Update he
a
der when appending to TNG file
.
commit
|
commitdiff
|
tree
2015-06-12
Magnus L
u
ndborg
TNG
version 1
.
7
.
6
commit
|
commitdiff
|
tree
2015-05-16
Magnus Lundbor
g
TNG
ve
r
si
o
n
1
.
7
.
5
commit
|
commitdiff
|
tree
2015-04-21
Magn
u
s
Lu
n
d
borg
TN
G
v
e
r
s
ion 1
.
7
.
3
commit
|
commitdiff
|
tree
2014-11-24
Magn
u
s Lundborg
When writing
T
N
G
t
he
i
n
p
u
t
m
u
st contain molecule
data
.
commit
|
commitdiff
|
tree
2014-09-02
Magnus
Lundborg
TNG Fix for
G
M
X_
D
O
U
BLE builds
a
nd where
Z
L
I
B is not
.
.
.
commit
|
commitdiff
|
tree
2014-09-02
Magnus Lundb
o
rg
F
ix data block
l
ength
w
hen u
n
compressing TNG data
.
commit
|
commitdiff
|
tree
2014-09-01
Magnus Lundb
o
rg
TNG: Handle l
a
r
ge files on 32 bit systems
.
commit
|
commitdiff
|
tree
2014-09-01
Magnus Lundbo
r
g
When writi
n
g TNG
i
nclude file closing
i
n wallcyc
l
e
.
commit
|
commitdiff
|
tree
2014-08-21
Magnus Lundborg
Fi
x
e
d TNG memory alignm
e
nt problem and
r
eset po
i
nters
.
commit
|
commitdiff
|
tree
2014-07-05
Mag
n
us Lundborg
F
i
x
bug ca
u
sing reading next frame
n
ot to stop
.
commit
|
commitdiff
|
tree
2014-07-05
Magnus L
u
ndb
o
rg
F
i
x tng_nu
m
_fra
m
e
_s
e
ts_get() with no f
r
ame sets
.
commit
|
commitdiff
|
tree
2014-06-28
Magnus
Lundborg
Up
d
ate
T
NG b
u
i
ld syste
m
commit
|
commitdiff
|
tree
2014-06-24
M
a
gnus Lundb
o
rg
Improved chec
k
to d
e
c
i
de if to add chain/residue
.
commit
|
commitdiff
|
tree
2014-06-19
Magn
u
s Lundborg
Bumped the
T
NG l
i
brary to the latest vers
i
o
n
.
commit
|
commitdiff
|
tree
2014-05-31
Magnus Lundborg
Fix bug
w
r
iting TNG output fr
o
m dump
.
commit
|
commitdiff
|
tree
2014-05-31
Mag
n
us L
u
ndborg
Bug fix in th
e
T
N
G
library to im
p
r
o
ve readi
n
g
.
commit
|
commitdiff
|
tree
2014-04-24
Magnus Lu
n
dborg
More eff
i
cient T
N
G selection grou
p
c
reation
commit
|
commitdiff
|
tree
2014-04-16
M
a
gnus Lu
n
dborg
Fixed bug inverti
n
g compression
precision
.
commit
|
commitdiff
|
tree
2014-03-01
Magnus
Lundborg
Bumped TNG to latest version
.
commit
|
commitdiff
|
tree
2014-02-13
Magnus Lun
d
borg
One mor
e
bump o
f
t
he TNG version
.
commit
|
commitdiff
|
tree
2014-02-13
Mag
n
us Lundborg
Removed option to use O
p
enMP with the
TNG l
i
brary
.
commit
|
commitdiff
|
tree
2014-02-12
Magnus Lundbo
r
g
En
a
ble TN
G
build
s
o
n
W
indows by default
.
commit
|
commitdiff
|
tree
2014-02-12
M
a
g
nus L
u
ndborg
Bumped
T
N
G
to
l
ate
s
t ver
s
i
on
.
commit
|
commitdiff
|
tree
2014-02-11
Magnus Lundborg
Adde
d
informa
t
ion
a
bout h
o
w to ci
t
e
the
T
N
G
pa
p
e
r
.
commit
|
commitdiff
|
tree
2014-01-20
M
agnus Lundbo
r
g
Add TNG writing and reading support
commit
|
commitdiff
|
tree
2013-10-29
Magnus Lundborg
Fixed
memor
y
leak in
g
mxdump
.
commit
|
commitdiff
|
tree
2013-09-02
M
agnu
s
Lundb
o
rg
Set
u
p
per case
o
f FFTW variable at
the right pla
c
e
.
commit
|
commitdiff
|
tree
2013-04-29
M
agn
u
s Lu
n
dborg
F
ixes "Fu
n
ction
t
ype
U
-B not implemented in ip_pert
.
"
commit
|
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