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Version 5.0.4
2014-12-15
Mark Abraham
Ve
r
sion 5
.
0
.
4
commit
|
commitdiff
|
tree
2014-12-15
Mark Abraham
Merge "Merge rel
e
ase-4
-
6 i
n
to
r
e
le
a
se-5
-
0" into release-5-0
commit
|
commitdiff
|
tree
2014-12-11
M
ark Abra
h
a
m
M
e
rge release
-
4-6 into releas
e
-5-0
commit
|
commitdiff
|
tree
2014-12-09
Mark A
b
raha
m
Versio
n
bumps after ne
w
release
commit
|
commitdiff
|
tree
2014-12-09
M
a
rk Abraham
Versi
o
n 5
.
0
.
3
commit
|
commitdiff
|
tree
2014-12-08
Mark
A
b
raham
Fix group-
s
cheme
b
u
g
w
i
th changi
n
g LJ pa
r
amet
e
rs in F
E
commit
|
commitdiff
|
tree
2014-11-27
Mar
k
Abraham
Rem
o
v
e
use of
inter
a
ction_
m
ask_indices on B
G
/Q
commit
|
commitdiff
|
tree
2014-11-27
M
ark
Abraham
Merge branch rele
a
se-4-6 int
o
r
e
lease-5-0
commit
|
commitdiff
|
tree
2014-10-17
Ma
r
k Abraham
Extend gmock to t
u
r
n
of
f
s
ocket liste
n
er
commit
|
commitdiff
|
tree
2014-10-13
Mark Abraham
Me
r
g
e
release-4-6 into r
e
lease-5
-
0
commit
|
commitdiff
|
tree
2014-10-06
Mark Abraham
Fix
t
rjco
n
v -split
n
ot clos
i
ng files
commit
|
commitdiff
|
tree
2014-10-01
M
ark Abraha
m
Version bumps after new release
commit
|
commitdiff
|
tree
2014-10-01
Mark Abr
a
h
am
Ver
s
ion
5
.
0
.
2
commit
|
commitdiff
|
tree
2014-09-29
Mark
Abra
h
am
Me
r
ge "M
e
rge release-4-6 i
n
to release-5-0" int
o
r
elease-5-0
commit
|
commitdiff
|
tree
2014-09-18
Mark Abraham
Merge bra
n
ch release-4-6
i
nto r
e
l
e
ase-5-0
commit
|
commitdiff
|
tree
2014-09-11
Mark Abraham
Remove documentat
i
on re
f
erence
s
to
o
pt
i
m
i
ze-fft
commit
|
commitdiff
|
tree
2014-09-05
M
a
r
k Abraham
V
e
rsion bu
m
ps after new
r
elease
commit
|
commitdiff
|
tree
2014-09-05
Mark Abra
h
am
V
e
r
sion 5
.
0
.
1
commit
|
commitdiff
|
tree
2014-09-03
Mark
A
braham
Fix mi
s
-use o
f
fabs in LAPA
C
K
commit
|
commitdiff
|
tree
2014-09-03
Mark Abraha
m
More hacking to get the t
e
m
plate
to detec
t
and build
commit
|
commitdiff
|
tree
2014-09-01
Ma
r
k Abraham
F
i
x and doc
u
ment issues with templat
e
.
cpp
commit
|
commitdiff
|
tree
2014-09-01
Mark Abraha
m
Me
r
ge
"Merge bran
c
h relea
s
e-4-6 into release-5-0"
into
.
.
.
commit
|
commitdiff
|
tree
2014-09-01
Mark Abraha
m
Fixes and updat
e
s to Blue
G
ene/Q suppo
r
t
commit
|
commitdiff
|
tree
2014-09-01
M
a
r
k
A
braham
Merge branch
releas
e
-4-6
into release-5
-
0
commit
|
commitdiff
|
tree
2014-09-01
Mark Abraham
Merge
"
Merge
b
ranch release-
4
-
6
i
n
t
o
r
elea
s
e-5-0" i
n
t
o
.
.
.
commit
|
commitdiff
|
tree
2014-08-29
Mark Abraham
Version
bum
p
a
f
ter 4
.
6
.
7
commit
|
commitdiff
|
tree
2014-08-29
Mark
A
braham
Merge br
a
nch r
e
lease-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-08-23
M
a
rk Abraham
Gen
e
ral
i
z
e
markdow
n
configurati
o
n machinery
commit
|
commitdiff
|
tree
2014-08-23
Mark
A
b
rah
a
m
Unify
d
o
c
ument
a
tion for webpage build
commit
|
commitdiff
|
tree
2014-08-22
Mark Abraham
Fix
z
lib us
a
g
e wit
h
TN
G
commit
|
commitdiff
|
tree
2014-08-16
Mark Abraham
Fix gmx tune_pme
with LJ-PME
commit
|
commitdiff
|
tree
2014-08-16
Mark
A
braham
Fix
w
allcycle coun
t
ing with
m
d-vv,
s
d and sd2
commit
|
commitdiff
|
tree
2014-07-09
Ma
r
k Abraham
Name the tarball how we like it
commit
|
commitdiff
|
tree
2014-07-09
M
a
r
k Abraham
Quieten
r
e
peated
c
make r
u
ns
commit
|
commitdiff
|
tree
2014-07-07
M
ar
k
Abraha
m
Fix tarb
a
ll an
d
install, particula
r
ly for INSTALL
commit
|
commitdiff
|
tree
2014-07-07
Mark Abra
h
am
Version b
u
m
p afte
r
4
.
6
.
6 release
commit
|
commitdiff
|
tree
2014-07-01
Ma
r
k Abra
h
a
m
F
ix GM
o
ck to work on MSVC
commit
|
commitdiff
|
tree
2014-06-29
Mark Abraham
Version bump f
o
r 5
.
0
commit
|
commitdiff
|
tree
2014-06-29
Mark Abraham
Ad
d
f
o
rgott
e
n
licenses
to
COPYING
commit
|
commitdiff
|
tree
2014-06-29
Mark Abraham
Refer t
o
"mixed" p
r
ecision i
n
user-facing docume
n
tati
o
n
commit
|
commitdiff
|
tree
2014-06-29
Mark Abraham
Conver
t
install guid
e
to markdown
commit
|
commitdiff
|
tree
2014-06-29
M
a
r
k
Ab
r
aha
m
Merge "Mer
g
e re
l
ea
s
e-4-6 into relea
s
e-5-0" into release-5-0
commit
|
commitdiff
|
tree
2014-06-28
Mark Abraham
M
e
rge branch
'release
-
4-6'
in
t
o release-
5
-0
commit
|
commitdiff
|
tree
2014-06-28
M
a
r
k
A
braham
Use p
a
r
a
l
lel terminology more consistently
commit
|
commitdiff
|
tree
2014-06-26
Mark Abraha
m
Me
r
ge
"
M
e
rge release-4-
6
into release-5-0" i
n
to releas
e
-5-0
commit
|
commitdiff
|
tree
2014-06-24
M
ark Abraham
Manual
f
ixes
commit
|
commitdiff
|
tree
2014-06-18
Ma
r
k
A
braham
Made
m
drun warn when generic kernels are
used
commit
|
commitdiff
|
tree
2014-06-06
Mark Abra
h
am
Mer
g
e release
-
4
-
6 int
o
releas
e
-5-0
commit
|
commitdiff
|
tree
2014-06-05
M
a
rk Abraham
New quote
s
commit
|
commitdiff
|
tree
2014-06-03
M
a
rk Abra
h
am
U
se RNG
correctl
y
for v-rescale thermostat
commit
|
commitdiff
|
tree
2014-05-30
Mar
k
Abraha
m
F
i
naliz
e
cha
n
ge fro
m
G
M
X_CPU_
A
C
CEL
E
RATION
t
o GMX_SIMD
commit
|
commitdiff
|
tree
2014-05-22
Mark Abraham
Add fat
a
l errors fo
r
VV
a
nd twin-range
MTS
commit
|
commitdiff
|
tree
2014-05-22
Mark Abr
a
ham
C
l
arified docs for use o
f
md
r
un -n
s
tlist
commit
|
commitdiff
|
tree
2014-05-20
Ma
r
k Abraham
Fix
copyright year
s
for n
e
w code
commit
|
commitdiff
|
tree
2014-05-20
M
a
rk Abraham
Add no
t
e abo
u
t
c
o
r
rect calling of wallcy
c
l
e
c
ounte
r
commit
|
commitdiff
|
tree
2014-05-18
M
a
rk Abraha
m
Fix inde
n
t
i
ng of
.
tpr parameter dum
p
in md
r
un log file
commit
|
commitdiff
|
tree
2014-05-13
Mark Abrah
a
m
Prohibit AV
X
_256 with bugg
y
gcc
4
.
6
.
1
commit
|
commitdiff
|
tree
2014-04-29
Mark A
b
raham
Merge branch
release-4-6 into
r
elease-5-0
commit
|
commitdiff
|
tree
2014-04-16
Mark
Abraham
Fix
a
nd simplify
versio
n
m
a
tc
h
ing f
o
r running
tests
commit
|
commitdiff
|
tree
2014-04-10
Mark Abraham
Merge branch 'rel
e
ase-4
-
6' into r
e
lease-5-0
commit
|
commitdiff
|
tree
2014-04-10
Mark
Ab
r
aham
Further fix
to gmx tu
n
e-pme
commit
|
commitdiff
|
tree
2014-04-07
Mark
Abra
h
am
F
i
x invalid derefe
r
ence in g
_
tune_pme
commit
|
commitdiff
|
tree
2014-04-07
Mar
k
Abraham
V
e
rsi
o
n
bump for 5
.
0-rc
1
commit
|
commitdiff
|
tree
2014-04-03
Ma
r
k Abra
h
am
Mov
e
stri
n
g-par
s
ing code to whe
r
e
it
can be reused
commit
|
commitdiff
|
tree
2014-04-02
M
a
rk A
b
raham
Fixes for g_tun
e
_p
m
e for 5
.
0
commit
|
commitdiff
|
tree
2014-04-02
M
a
rk Abraham
Fix bug
a
ccumu
l
atin
g
nr
a
nk_pp_intranode
o
n PME ranks
commit
|
commitdiff
|
tree
2014-04-02
Mark A
b
raham
Re-use gmx_greatest_com
m
on_
d
i
v
isor()
commit
|
commitdiff
|
tree
2014-03-31
M
ar
k
Abraham
Remove quote
commit
|
commitdiff
|
tree
2014-03-26
Mark A
b
raham
Fix
u
se of inline in
IM
D
commit
|
commitdiff
|
tree
2014-03-23
Mark Abraham
Keep CMake quiet ab
o
u
t non-det
e
ction of o
p
tiona
l
stu
f
f
commit
|
commitdiff
|
tree
2014-03-23
Mark Abraha
m
Me
r
g
e branch rele
a
s
e
-4-6
commit
|
commitdiff
|
tree
2014-03-23
Mark Abraham
F
i
x pr
i
nt_date_
a
nd
_
time
commit
|
commitdiff
|
tree
2014-03-18
Mark Ab
r
a
h
am
Revert "Ad
d
ed new amber9
9
sb-il
d
n
-bs
c
0 force field
.
"
commit
|
commitdiff
|
tree
2014-03-18
Mark A
b
raham
Rem
o
ve
d
m
o
re stuff
r
e
lated to gmx
.
f
f and gmx2
.
ff
commit
|
commitdiff
|
tree
2014-03-17
Mark Abraham
Hou
s
e-keeping for MTTK
commit
|
commitdiff
|
tree
2014-03-17
Mark A
b
raham
Merge "Me
r
ge branch release
-
4-
6
"
commit
|
commitdiff
|
tree
2014-03-17
Mark Ab
r
aham
Merge branch release-4-6
commit
|
commitdiff
|
tree
2014-03-17
M
a
r
k Abraham
Fix
perturbati
o
n to Verlet scheme
w
hen no
t
perturbin
g
commit
|
commitdiff
|
tree
2014-03-11
Mark A
b
raham
F
i
x MKL linki
n
g
commit
|
commitdiff
|
tree
2014-03-11
Mark Abra
h
am
Avoi
d
array-bounds wa
r
nin
g
s with gcc 4
.
8
.
2
commit
|
commitdiff
|
tree
2014-03-10
M
ark Abra
h
am
Fix
d
ependenc
y
o
n swapc
o
or
d
s e
n
ums
commit
|
commitdiff
|
tree
2014-03-06
M
ark Abraham
F
i
x formatting i
n
install
guide
commit
|
commitdiff
|
tree
2014-03-06
M
a
rk
A
braham
Fix CMake syntax error
commit
|
commitdiff
|
tree
2014-03-05
Mark
A
br
a
ham
Merge "Merge
r
elease-4-6 into
m
a
s
t
e
r"
commit
|
commitdiff
|
tree
2014-03-04
Mark Abraham
Add
enum and do
c
s for usi
n
g
t
px_ve
r
sion
commit
|
commitdiff
|
tree
2014-03-03
Mar
k
Abraham
Fix calling SI
M
D group ker
n
el
s
commit
|
commitdiff
|
tree
2014-03-01
Mark Abraham
Add fatal e
r
ror for
A
n
d
ersen+co
n
straints+DD
commit
|
commitdiff
|
tree
2014-02-26
Mark Abra
h
am
Add T
h
r
eadSanitiz
e
r
build type
commit
|
commitdiff
|
tree
2014-02-25
M
ark Abraham
Kee
p
co
m
pile
r
s hap
p
y on
BG/Q
commit
|
commitdiff
|
tree
2014-02-24
Mark
A
braham
Clean up o
p
tions for domain deco
m
position
commit
|
commitdiff
|
tree
2014-02-24
Ma
r
k Abra
h
am
Permit warning-fr
e
e
use
o
f A
n
dersen thermostat
commit
|
commitdiff
|
tree
2014-02-24
Mar
k
A
b
raham
Suppr
e
ss
i
cc w
a
rning
for
B
oost 1
.
55
us
e
of #p
r
agm
a
.
.
.
commit
|
commitdiff
|
tree
2014-02-21
Ma
r
k A
b
raham
Re
i
nsta
t
e
shell co
d
e with D
D
commit
|
commitdiff
|
tree
2014-02-20
Mark Abraham
Remove pa
r
ticle de
c
ompo
s
ition
commit
|
commitdiff
|
tree
2014-02-20
Mark Abraham
avoid
mdrun crash
when rdtscp
is not suppo
r
ted
commit
|
commitdiff
|
tree
2014-02-20
Ma
r
k Abraham
Add i
n
tegration tests for rep
l
i
c
a
exchange
commit
|
commitdiff
|
tree
2014-02-19
Ma
r
k
A
b
raham
Make some v
a
r
i
ab
l
e names
l
ess cryptic
commit
|
commitdiff
|
tree
2014-02-18
Mark Abraham
Fix out
s
t
a
nding referen
c
es to "CP
U
acc
e
leratio
n
"
commit
|
commitdiff
|
tree
2014-02-18
Mark Abraham
Fix harmless bug with com
b
ination o
f
group an
d
twin
.
.
.
commit
|
commitdiff
|
tree
2014-02-18
Ma
r
k
A
br
a
ham
Exten
d
TestFileManager
commit
|
commitdiff
|
tree
next