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
Change image conversion to only be build once
2018-03-29
Magnu
s
Lu
n
d
borg
Improved check of if o
n
ly forces are c
o
mputed in do_pairs()
commit
|
commitdiff
|
tree
2017-12-05
Magnus Lundbor
g
SIMD accelerate
d
Urey
-
Bradley
commit
|
commitdiff
|
tree
2017-11-18
Magnus L
u
n
dborg
Added Magnus
L
undbor
g
a
s
contri
b
utor in the manua
l
.
Added
Magnus Lundborg
as contributor in the manual.
commit
|
commitdiff
|
tree
2017-11-08
Magnu
s
L
undborg
Update
t
o
TNG v 1
.
8
.
1
commit
|
commitdiff
|
tree
2017-10-13
M
a
gnus Lundbo
r
g
Do not
i
nclude hea
d
ers relat
e
d
to
O
bservablesHistory
commit
|
commitdiff
|
tree
2017-10-03
Magnus
L
u
n
dborg
Write atom m
a
sses and partial charges to TN
G
commit
|
commitdiff
|
tree
2017-06-11
Ma
g
nus
L
undbor
g
U
pdated TNG
to version 1
.
8
commit
|
commitdiff
|
tree
2015-12-05
Magnus Lundborg
Write forces and v
e
lo
c
ities to co
m
p
r
e
ssed TNG
.
commit
|
commitdiff
|
tree
2015-11-30
Magnus Lund
b
org
Fixed typ
o
s in output
.
commit
|
commitdiff
|
tree
2015-11-25
Mag
n
us Lun
d
b
org
U
se local
v
ariables instead of
t
h
ose i
n
*ir
.
commit
|
commitdiff
|
tree
2015-06-24
M
agn
u
s L
u
ndborg
Update
h
e
ader when appending to TNG file
.
commit
|
commitdiff
|
tree
2015-06-12
Mag
n
us Lundborg
TNG
version
1
.
7
.
6
commit
|
commitdiff
|
tree
2015-05-16
Magnus Lundb
o
rg
TNG version 1
.
7
.
5
commit
|
commitdiff
|
tree
2015-04-21
Ma
g
nus Lundbo
r
g
TNG vers
i
o
n 1
.
7
.
3
commit
|
commitdiff
|
tree
2014-11-24
Magnus L
u
ndborg
Whe
n
writing
TN
G
the input m
u
st contain molec
u
le
d
a
t
a
.
commit
|
commitdiff
|
tree
2014-09-02
Magnus
Lundborg
TNG Fix
f
or
GM
X
_DOUBLE builds and where ZLIB is not
.
.
.
commit
|
commitdiff
|
tree
2014-09-02
Magnus Lundborg
Fix data
b
l
o
ck
l
ength when uncompressing TNG data
.
commit
|
commitdiff
|
tree
2014-09-01
Magnus
L
undborg
TNG
:
H
a
n
dle large files on 32 bit syst
e
ms
.
commit
|
commitdiff
|
tree
2014-09-01
Ma
g
nus Lu
n
dborg
When writing TNG include file closing in wallcyc
l
e
.
commit
|
commitdiff
|
tree
2014-08-21
Magnus Lundb
o
rg
Fixed TNG memory alignment
probl
e
m and r
e
set pointers
.
commit
|
commitdiff
|
tree
2014-07-05
M
agnu
s
Lundborg
Fix bug c
a
using readin
g
next frame n
o
t to sto
p
.
commit
|
commitdiff
|
tree
2014-07-05
Magn
u
s
L
u
ndborg
Fix t
n
g_
n
um_fr
a
m
e_sets_get()
w
ith n
o
fram
e
sets
.
commit
|
commitdiff
|
tree
2014-06-28
M
agnus
Lundbo
r
g
Upd
a
te TN
G
build
s
ystem
commit
|
commitdiff
|
tree
2014-06-24
Magnus Lundborg
Improved check
t
o decide
i
f to
a
dd
c
ha
i
n/residu
e
.
commit
|
commitdiff
|
tree
2014-06-19
Magnus Lundb
o
r
g
Bumped the TNG librar
y
t
o
the latest
v
e
r
sion
.
commit
|
commitdiff
|
tree
2014-05-31
Magnus
Lu
n
d
b
org
Fix bug
w
riting T
N
G outpu
t
from du
m
p
.
commit
|
commitdiff
|
tree
2014-05-31
Magnus Lundb
o
rg
Bug fix in the TNG library to improv
e
rea
d
ing
.
commit
|
commitdiff
|
tree
2014-04-24
Magn
u
s
Lundborg
M
ore e
f
ficient T
N
G sele
c
tion group cr
e
a
t
ion
commit
|
commitdiff
|
tree
2014-04-16
M
a
g
n
us
L
undborg
Fixed
bug inverting compression
p
recision
.
commit
|
commitdiff
|
tree
2014-03-01
Magnus Lu
n
dborg
Bumped TN
G
to la
t
est
v
ersion
.
commit
|
commitdiff
|
tree
2014-02-13
Mag
n
us Lundborg
One
more b
u
mp of the TNG versi
o
n
.
commit
|
commitdiff
|
tree
2014-02-13
Magnus Lundborg
Removed
option to u
s
e
O
p
e
nM
P
with the
TNG libr
a
ry
.
commit
|
commitdiff
|
tree
2014-02-12
Ma
g
n
us Lundborg
Ena
b
le TNG build
s
on Windows by default
.
commit
|
commitdiff
|
tree
2014-02-12
Magnus
L
u
ndborg
B
u
m
ped TNG to l
a
test version
.
commit
|
commitdiff
|
tree
2014-02-11
Magnus Lundborg
Add
e
d infor
m
a
t
ion
a
bout h
o
w to c
i
t
e
t
he TNG paper
.
commit
|
commitdiff
|
tree
2014-01-20
M
a
gnus Lundborg
Add
TNG writing
a
nd r
e
a
ding support
commit
|
commitdiff
|
tree
2013-10-29
Magnu
s
Lundb
o
rg
Fi
x
ed
memory l
e
ak i
n
gmxdump
.
commit
|
commitdiff
|
tree
2013-09-02
M
agnus Lundborg
S
e
t
u
p
pe
r
c
a
s
e
o
f
FFT
W
varia
b
le at the r
i
gh
t
place
.
commit
|
commitdiff
|
tree
2013-04-29
Magnus L
u
n
dborg
F
i
x
e
s "F
u
nction ty
p
e
U
-B not implemented in ip_pert
.
"
commit
|
commitdiff
|
tree