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Version bumps after new release
2014-12-09
Mark Abraham
Versio
n
bumps
a
f
t
e
r new
release
commit
|
commitdiff
|
tree
2014-12-09
Mark Abraham
Ve
r
sion 5
.
0
.
3
commit
|
commitdiff
|
tree
2014-11-27
Mark Ab
r
aham
M
e
rge
branch release-4-6 into r
e
le
a
s
e-5-0
commit
|
commitdiff
|
tree
2014-11-24
B
e
r
k
Hess
Avoid Na
N
in
r
list
b
u
ffer ca
l
culation
commit
|
commitdiff
|
tree
2014-10-17
Mark Abraham
Extend g
m
ock to turn of
f
socket listener
commit
|
commitdiff
|
tree
2014-10-13
Mark Abraham
Merge release-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-10-06
Mark Abraham
Fix tr
j
c
o
n
v
-spl
i
t not closing
f
iles
commit
|
commitdiff
|
tree
2014-10-01
Mark Abraham
Vers
i
o
n
bu
m
ps after ne
w
r
ele
a
s
e
commit
|
commitdiff
|
tree
2014-10-01
Mark Abraham
Version 5
.
0
.
2
commit
|
commitdiff
|
tree
2014-10-01
C
a
rs
t
e
n
K
utzner
Allow
gmx tune
_
pme to skip
t
he check for
c
ommand-line
.
.
.
commit
|
commitdiff
|
tree
2014-09-18
Mark Abraham
Merge br
a
nch releas
e
-4-6 in
t
o release-5-0
commit
|
commitdiff
|
tree
2014-09-11
M
a
rk Abrah
a
m
Remove
d
o
cu
m
entation
re
f
er
e
n
c
es to
optimize-fft
commit
|
commitdiff
|
tree
2014-09-05
M
ark Abraham
Version bumps afte
r
new r
e
le
a
se
commit
|
commitdiff
|
tree
2014-09-05
Mark Abraham
Version 5
.
0
.
1
commit
|
commitdiff
|
tree
2014-09-01
Mar
k
Abraham
M
erge b
r
an
c
h release-4-6 into
r
elease-
5
-0
commit
|
commitdiff
|
tree
2014-08-29
Mark Abraham
Version bump af
t
er 4
.
6
.
7
commit
|
commitdiff
|
tree
2014-08-23
Tee
m
u Mu
r
t
o
la
Bac
k
p
ort of 'Remove unu
s
ed fi
g
ures fr
o
m sh
a
r
e/htm
l
/
'
commit
|
commitdiff
|
tree
2014-07-07
Mark Abrah
a
m
V
ersio
n
bu
m
p
after 4
.
6
.
6
release
commit
|
commitdiff
|
tree
2014-06-29
M
a
rk Abra
h
am
Ver
s
ion
bump for 5
.
0
commit
|
commitdiff
|
tree
2014-06-29
Mark Abraham
Add fo
r
go
t
ten lice
n
s
e
s to COPY
I
NG
commit
|
commitdiff
|
tree
2014-06-28
Mar
k
Abr
a
ham
Mer
g
e b
r
anch '
r
elease-4-6' into rel
e
ase-5-0
commit
|
commitdiff
|
tree
2014-06-26
R
oland
S
c
hulz
Merge
release-4-6
i
nto release-5
-
0
commit
|
commitdiff
|
tree
2014-06-24
Berk
H
ess
Fixed the sign of mass
perturbed contr
i
but
i
on
commit
|
commitdiff
|
tree
2014-06-17
Erik Lindahl
Disabl
e
d re
p
lica exchange
when T
not in ord
e
r
commit
|
commitdiff
|
tree
2014-06-05
Berk Hess
Fixed shi
f
t
a
nd
switc
h
m
o
d
ifiers, particularl
y
for
.
.
.
commit
|
commitdiff
|
tree
2014-06-02
Erik
Linda
h
l
Added grompp che
c
ks for zero at
o
m
masses in stat
e
B
commit
|
commitdiff
|
tree
2014-06-01
Erik Li
n
dahl
Two quotes contributed by Vedran Miletic
commit
|
commitdiff
|
tree
2014-05-27
Ro
l
and
S
chul
z
Merge relea
s
e-4
-
6 into release-5-0
commit
|
commitdiff
|
tree
2014-05-20
Mark Abra
h
am
F
ix copyrig
h
t years f
o
r n
e
w code
commit
|
commitdiff
|
tree
2014-05-13
Mar
k
Abraham
Prohibit AVX_25
6
with
b
uggy
gcc 4
.
6
.
1
commit
|
commitdiff
|
tree
2014-04-29
Mar
k
Abraham
Merge
bra
n
ch rel
e
ase-4-6
into release-5
-
0
commit
|
commitdiff
|
tree
2014-04-10
Mar
k
Abraham
Merge branch 'r
e
lease-4
-
6
'
into
release-5-0
commit
|
commitdiff
|
tree
2014-04-07
Mark Ab
r
aham
Version bump for
5
.
0
-rc1
commit
|
commitdiff
|
tree
2014-03-31
Teemu
Murt
o
la
Remove #include <
.
.
.
>
for
lo
c
al files i
n
gmx-
v
i
ew
commit
|
commitdiff
|
tree
2014-03-26
Mark Abra
h
a
m
Fi
x
u
s
e of inli
n
e
in IMD
commit
|
commitdiff
|
tree
2014-03-23
Ma
r
k
Abraham
M
e
rg
e
branch
release-4-6
commit
|
commitdiff
|
tree
2014-03-18
Mark Ab
r
aham
Rever
t
"Add
e
d new amb
e
r99sb-ildn-bsc0 force field
.
"
commit
|
commitdiff
|
tree
2014-03-17
M
ark A
b
raha
m
Hous
e
-
k
eeping
for M
T
T
K
commit
|
commitdiff
|
tree
2014-03-17
Mark Abraham
Merge branc
h
release-4-6
commit
|
commitdiff
|
tree
2014-03-11
R
ossen Apostolo
v
R
emov
e
d
.
itp fil
e
s
from
t
op level directo
r
y
.
commit
|
commitdiff
|
tree
2014-03-06
Mark Abra
h
am
F
ix formatting in in
s
tall guid
e
commit
|
commitdiff
|
tree
2014-03-06
Mark Abraham
Fix CMake syntax erro
r
commit
|
commitdiff
|
tree
2014-03-03
Mar
k
Abraham
Fix c
a
ll
i
n
g SIMD gr
o
up kernels
commit
|
commitdiff
|
tree
2014-02-26
Roland Schul
z
Use r
e
duce in p
m
e
commit
|
commitdiff
|
tree
2014-02-26
E
rik Li
n
dahl
Redes
i
g
n
ed SIMD mod
u
le a
n
d unit
t
e
sts
.
commit
|
commitdiff
|
tree
2014-02-24
Berk H
e
ss
Impl
e
m
e
nted L
J
-PME
n
bnx
n
ker
n
els
commit
|
commitdiff
|
tree
2014-02-21
Sz
i
lard
Pall
portab
i
lity aspects in ins
t
all guide + m
i
nor t
w
eaks
commit
|
commitdiff
|
tree
2014-02-19
Berk Hess
Implem
e
n
te
d
nbnxn
LJ switch function
s
commit
|
commitdiff
|
tree
2014-02-18
Mark Abraham
Fix outstan
d
ing referen
c
e
s to "CPU acceleration"
commit
|
commitdiff
|
tree
2014-02-18
Mark Ab
r
aham
E
xtend TestF
i
leManager
commit
|
commitdiff
|
tree
2014-02-16
Mark
A
braham
Fix
t
est re
f
e
rence
d
a
ta acc
i
d
e
n
tal
l
y broken
commit
|
commitdiff
|
tree
2014-02-11
M
a
r
k
A
b
rah
a
m
U
pdate stuff for old BlueGene
commit
|
commitdiff
|
tree
2014-02-09
Te
e
mu Murtola
Mak
e
'gmx -h'
i
nvariant
w
rt
.
pr
o
v
id
e
d o
p
t
i
o
ns
commit
|
commitdiff
|
tree
2014-02-09
Te
e
mu Murtola
R
em
o
ve old
help format
t
ing code
commit
|
commitdiff
|
tree
2014-02-09
Teem
u
Murtola
Make
F
i
leNameOpt
i
on behave mo
r
e li
k
e old filenm parse
r
commit
|
commitdiff
|
tree
2014-02-09
Te
e
m
u Murtola
Implement synopsis for
help output
commit
|
commitdiff
|
tree
2014-02-04
M
a
r
k
A
b
raham
Use
f
eat
u
r
e
to expl
a
in t
h
at tp
b
conv h
a
s
m
oved
commit
|
commitdiff
|
tree
2014-02-01
Eri
k
L
i
ndahl
Added AVX2 detection
to cmake and
c
reated CPU acce
l
era
t
ion
.
.
.
commit
|
commitdiff
|
tree
2014-01-29
Ma
r
k Abraha
m
Keep clang
A
ddress Sanitizer happy
commit
|
commitdiff
|
tree
2014-01-28
Mark Abraham
Merge branch 'release-4-
6
'
commit
|
commitdiff
|
tree
2014-01-28
Mark Abraham
Remove unused fplog
commit
|
commitdiff
|
tree
2014-01-27
M
ark A
b
raham
Don't number a
list manually
commit
|
commitdiff
|
tree
2014-01-21
M
a
rk Abr
a
ham
Remov
e
hi
d
d
e
n op
t
i
on to
gmx dump
commit
|
commitdiff
|
tree
2014-01-20
Mark A
b
raham
R
emove various outdated
t
h
i
ngs from the repo
commit
|
commitdiff
|
tree
2014-01-20
Mark Abr
a
ham
R
en
a
me
'
gmx tpbconv' to 'gmx conv
e
rt-tpr'
commit
|
commitdiff
|
tree
2014-01-20
Magnus Lund
b
org
A
d
d
T
NG writing and reading sup
p
ort
commit
|
commitdiff
|
tree
2014-01-09
R
oland
S
chulz
Remo
v
e
r
e
maining usag
e
of
S
I
ZEOF*
commit
|
commitdiff
|
tree
2014-01-08
Mark Abraham
C
reate
m
ath module
commit
|
commitdiff
|
tree
2013-12-05
M
ark Abraham
Ver
s
ion bum
p
after 5
.
0-bet
a
1 release
commit
|
commitdiff
|
tree
2013-12-05
Mark
A
braham
Fix administr
i
v
i
a
commit
|
commitdiff
|
tree
2013-12-02
M
a
rk
A
braham
Version bump a
f
ter
4
.
6
.
5
release
commit
|
commitdiff
|
tree
2013-12-02
Berk Hess
Made cut
o
ff-sch
e
me=Verlet the default
commit
|
commitdiff
|
tree
2013-12-02
Berk Hess
Ren
a
med
verlet-buffer-drif
t
to
verlet-buffer-tole
r
ance
commit
|
commitdiff
|
tree
2013-12-02
Mark Abra
h
am
Versi
o
n bu
m
ps
b
efore release
commit
|
commitdiff
|
tree
2013-12-02
Mark Abr
a
ham
Merge bran
c
h 'release
-
4-6'
commit
|
commitdiff
|
tree
2013-11-28
T
e
emu Murtola
Fix some #in
c
lude p
r
o
ble
m
s
.
commit
|
commitdiff
|
tree
2013-11-27
Mark Abraha
m
Fi
x
s
t
ra
n
ge character in manu
a
l
commit
|
commitdiff
|
tree
2013-11-26
Berk Hess
Fixed
r
eturn valu
e
of gmx_mtop_bondeds_fre
e
_e
n
ergy
commit
|
commitdiff
|
tree
2013-11-19
Mark Abraham
Fix
i
n
c
o
r
rec
t
vari
a
b
l
e name in
documentation
commit
|
commitdiff
|
tree
2013-11-15
Mark Ab
r
a
h
am
M
e
r
ge
branch
r
e
l
ease-4-6
commit
|
commitdiff
|
tree
2013-11-13
Mark Abraham
Bump version after 4
.
6
.
4
releas
e
commit
|
commitdiff
|
tree
2013-11-08
Mark Abraha
m
Fix malformed CM
a
ke
commit
|
commitdiff
|
tree
2013-10-26
Roland Schulz
Fix NBNxN
S
IMD reference k
e
rnels
commit
|
commitdiff
|
tree
2013-10-26
M
a
rk Abraham
Encapsulate
g
mx_wallclock_accoun
t
ing_t int
o
new timing
.
.
.
commit
|
commitdiff
|
tree
2013-10-23
Mark Abraham
Mer
g
e
branch release-4-6
i
n
t
o master
commit
|
commitdiff
|
tree
2013-10-20
Mark Abra
h
am
Re
m
ov
e
html target from and excessive PDFs
f
or manual
commit
|
commitdiff
|
tree
2013-10-14
Szila
r
d
Pall
use CUDA te
x
tur
e
objects
w
h
e
n supported
commit
|
commitdiff
|
tree
2013-10-08
Mark Ab
r
a
h
am
Remov
e
some unused variab
l
es from
M
D
lo
o
p
commit
|
commitdiff
|
tree
2013-10-06
Mark Abr
a
ha
m
Fixed triggering of
C
P
U
acce
l
eration-scheme detection
commit
|
commitdiff
|
tree
2013-10-04
Teemu Murtola
Clean up CTes
t
usa
g
e
.
commit
|
commitdiff
|
tree
2013-10-03
Christo
p
h
J
unghans
Fix p
a
r
a
llel
build for GM
X
_BU
I
LD_OWN_FFTW
commit
|
commitdiff
|
tree
2013-09-26
Mark A
b
raham
Merge bra
n
ch release-4-6
commit
|
commitdiff
|
tree
2013-09-26
Mark Abraham
Re
m
ove General C
o
upli
n
g Theo
r
y stuff
commit
|
commitdiff
|
tree
2013-09-20
Mark Abr
a
ham
Merge br
a
nch 'r
e
l
e
a
se-4
-
6
'
commit
|
commitdiff
|
tree
2013-08-15
Mark Abrah
a
m
Pro
d
ucti
v
e afternoon
of mee
t
ing
s
.
.
.
m
o
r
e
quo
t
es!
commit
|
commitdiff
|
tree
2013-08-09
Mark A
b
raha
m
Reord
e
red
FFT
W
fa
t
a
l
error; avoids using unset variables
commit
|
commitdiff
|
tree
2013-07-26
M
a
r
k Abraham
Mer
g
e branch release-4-6 into maste
r
commit
|
commitdiff
|
tree
2013-07-24
M
ark Abraham
M
erge branch release-
4
-6 into master
commit
|
commitdiff
|
tree
2013-06-27
R
o
land Schulz
M
erge
bra
n
c
h
'release-4-
6
' into maste
r
commit
|
commitdiff
|
tree
2013-06-16
Jeff H
a
mmond
Def
i
ne b
o
t
h
C
and C++ compilers in BGQ to
o
lch
a
ins;
.
.
.
commit
|
commitdiff
|
tree
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