repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Fix duplicate warning
2017-12-05
Ma
g
nus Lundborg
S
I
MD a
c
celerated U
r
ey-Bradley
commit
|
commitdiff
|
tree
2017-11-18
Magnus Lund
b
org
Add
e
d M
a
gn
u
s Lundbo
r
g
a
s
contri
b
utor in the manual
.
Added
Magnus Lundborg
as contributor in the manual.
commit
|
commitdiff
|
tree
2017-11-08
Magnus Lundborg
U
pda
t
e t
o
TNG v 1
.
8
.
1
commit
|
commitdiff
|
tree
2017-10-13
Magnus Lu
n
dborg
Do n
o
t includ
e
heade
r
s
related to
O
bservablesHistor
y
commit
|
commitdiff
|
tree
2017-10-03
Magn
u
s Lundborg
W
r
i
t
e atom m
a
sses and partial charges t
o
TNG
commit
|
commitdiff
|
tree
2017-06-11
Magnus Lundborg
Upda
t
e
d TNG
to versio
n
1
.
8
commit
|
commitdiff
|
tree
2015-12-05
Magnus Lundbo
r
g
Write
forces and velo
c
ities to
compressed TN
G
.
commit
|
commitdiff
|
tree
2015-11-30
M
agnus Lun
d
b
o
r
g
Fixed typos in output
.
commit
|
commitdiff
|
tree
2015-11-25
Magnus Lund
b
org
Use
l
ocal varia
b
l
e
s
instead of those in *ir
.
commit
|
commitdiff
|
tree
2015-06-24
Magnus Lund
b
o
r
g
Up
d
a
te header when appending to TNG f
i
le
.
commit
|
commitdiff
|
tree
2015-06-12
Magnus Lundborg
TNG version 1
.
7
.
6
commit
|
commitdiff
|
tree
2015-05-16
Magnus Lund
b
org
TN
G
versi
o
n 1
.
7
.
5
commit
|
commitdiff
|
tree
2015-04-21
Magnu
s
Lun
d
borg
T
N
G version
1
.
7
.
3
commit
|
commitdiff
|
tree
2014-11-24
M
a
gnus Lundbor
g
When
w
riting
TNG the input mus
t
conta
i
n
m
olecule da
t
a
.
commit
|
commitdiff
|
tree
2014-09-02
Magnus L
u
ndborg
TNG Fix
for
GM
X
_DOUBLE builds an
d
where ZL
I
B is not
.
.
.
commit
|
commitdiff
|
tree
2014-09-02
M
agnus Lu
n
dborg
Fix data blo
c
k
l
ength when unc
o
mpressing
TN
G
data
.
commit
|
commitdiff
|
tree
2014-09-01
Magnus Lundborg
TNG:
H
an
d
le large files o
n
3
2
bit sys
t
e
m
s
.
commit
|
commitdiff
|
tree
2014-09-01
Magnus
Lund
b
org
W
hen writing TNG include f
i
l
e cl
o
sing in wa
l
lcycle
.
commit
|
commitdiff
|
tree
2014-08-21
Ma
g
nus
Lundborg
Fi
x
ed TNG m
e
mory
a
lig
n
ment
p
roble
m
and
reset po
i
nt
e
r
s
.
commit
|
commitdiff
|
tree
2014-07-05
Magnus Lundborg
Fix bug c
a
using
r
eading
next fram
e
not to stop
.
commit
|
commitdiff
|
tree
2014-07-05
Magn
u
s Lundborg
F
i
x
tng
_
nu
m
_frame_
s
ets
_
get()
w
ith no frame sets
.
commit
|
commitdiff
|
tree
2014-06-28
Magnus Lundbor
g
U
p
d
ate
TNG bui
l
d system
commit
|
commitdiff
|
tree
2014-06-24
Magnus Lundborg
Improved check to decid
e
if
t
o ad
d
chain/resid
u
e
.
commit
|
commitdiff
|
tree
2014-06-19
Magnus Lundborg
Bumped the TNG
l
ibrary to the latest versi
o
n
.
commit
|
commitdiff
|
tree
2014-05-31
Ma
g
nus Lundborg
Fix bug writing TNG out
p
ut from dump
.
commit
|
commitdiff
|
tree
2014-05-31
Magnus Lundborg
Bug fix
in the TNG library
t
o improve
r
eadin
g
.
commit
|
commitdiff
|
tree
2014-04-24
M
a
gnus Lundborg
More effi
c
i
e
nt
T
NG selecti
o
n g
r
oup creation
commit
|
commitdiff
|
tree
2014-04-16
Ma
g
nus Lund
b
org
Fixed bug inve
r
ting comp
r
essi
o
n
precis
i
o
n
.
commit
|
commitdiff
|
tree
2014-03-01
Magnu
s
Lundborg
Bu
m
ped TNG to latest version
.
commit
|
commitdiff
|
tree
2014-02-13
Ma
g
nus Lundborg
O
n
e
more bump of the TNG
ver
s
ion
.
commit
|
commitdiff
|
tree
2014-02-13
Magnus Lundbo
r
g
R
e
moved o
p
tion to use OpenMP with th
e
TN
G
library
.
commit
|
commitdiff
|
tree
2014-02-12
Mag
n
us
Lundborg
E
n
ab
l
e TNG builds o
n
Windows b
y
defa
u
l
t
.
commit
|
commitdiff
|
tree
2014-02-12
Magnus L
u
n
d
borg
Bump
e
d TNG to latest ver
s
ion
.
commit
|
commitdiff
|
tree
2014-02-11
Magnus
L
undbor
g
Added information about how to c
i
te the TNG paper
.
commit
|
commitdiff
|
tree
2014-01-20
M
a
g
n
u
s Lun
d
borg
Add TNG writing and rea
d
ing support
commit
|
commitdiff
|
tree
2013-10-29
M
a
gnu
s
Lundborg
Fixed memor
y
leak
i
n gmxdump
.
commit
|
commitdiff
|
tree
2013-09-02
Magnus
Lundborg
Set upper case of
F
FTW variable at the right pla
c
e
.
commit
|
commitdiff
|
tree
2013-04-29
Magnus
L
undborg
Fixes "Fun
c
tion type U-B
n
ot imp
l
emente
d
i
n ip_
p
e
rt
.
"
commit
|
commitdiff
|
tree