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Version 5.0.4
2014-12-15
M
ark A
b
raham
V
e
rs
i
on 5
.
0
.
4
commit
|
commitdiff
|
tree
2014-12-11
Mark Ab
r
aham
Merge
r
e
l
ease-4-6
into release-5-0
commit
|
commitdiff
|
tree
2014-12-09
Mark Abraham
Version bump
s
a
f
ter
n
e
w release
commit
|
commitdiff
|
tree
2014-12-09
Mark Abr
a
h
a
m
V
e
rsion
5
.
0
.
3
commit
|
commitdiff
|
tree
2014-11-27
M
ark A
b
raham
Merg
e
branch rele
a
se-
4
-
6 into release-5-0
commit
|
commitdiff
|
tree
2014-11-24
Berk Hess
Avoid N
a
N
i
n rlis
t
b
u
ffe
r
cal
c
ulation
commit
|
commitdiff
|
tree
2014-10-17
Ma
r
k Abraham
Extend
gmock to tur
n
o
ff socket
l
isten
e
r
commit
|
commitdiff
|
tree
2014-10-13
M
a
rk Abr
a
ha
m
Mer
g
e relea
s
e-4-6 in
t
o release-5-0
commit
|
commitdiff
|
tree
2014-10-06
Ma
r
k Abraham
Fix trjconv -split n
o
t closing
f
iles
commit
|
commitdiff
|
tree
2014-10-01
Mark Abraham
Version bump
s
aft
e
r new
r
e
l
ease
commit
|
commitdiff
|
tree
2014-10-01
Mark
Abraha
m
Version
5
.
0
.
2
commit
|
commitdiff
|
tree
2014-10-01
C
a
r
sten
Kutzne
r
Allow gm
x
t
un
e
_pme to skip the check for command-line
.
.
.
commit
|
commitdiff
|
tree
2014-09-18
Mark Abraham
Merge bra
n
ch
r
elease-4-6
i
nto re
l
e
a
se
-
5-0
commit
|
commitdiff
|
tree
2014-09-11
Mark
Ab
r
aham
Re
m
ove d
o
cumentation ref
e
rences t
o
o
ptimize-fft
commit
|
commitdiff
|
tree
2014-09-05
Mark Abraham
V
e
rsio
n
bumps af
t
er new
rele
a
s
e
commit
|
commitdiff
|
tree
2014-09-05
Mark
A
braham
Versio
n
5
.
0
.
1
commit
|
commitdiff
|
tree
2014-09-01
Mark Abraham
Mer
g
e
b
ra
n
c
h release-4-6 in
t
o release-5-0
commit
|
commitdiff
|
tree
2014-08-29
M
a
rk Abraham
Version b
u
mp aft
e
r 4
.
6
.
7
commit
|
commitdiff
|
tree
2014-08-23
Teemu Murtola
Backpor
t
of 'Remove
u
nused figures from s
h
are/
h
tml/
'
commit
|
commitdiff
|
tree
2014-07-07
Mark
Abraham
Ve
r
sion bump a
f
ter 4
.
6
.
6 release
commit
|
commitdiff
|
tree
2014-06-29
Ma
r
k Abr
a
ham
Ver
s
ion b
u
mp for 5
.
0
commit
|
commitdiff
|
tree
2014-06-29
Mark Abraha
m
A
d
d forg
o
tten licen
s
es to COPYING
commit
|
commitdiff
|
tree
2014-06-28
Mark
Ab
r
aham
Merge branch
'release-4-6'
into rele
a
se-5-0
commit
|
commitdiff
|
tree
2014-06-26
Roland
S
c
hul
z
Mer
g
e r
e
lease-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-06-24
Ber
k
H
ess
Fixed th
e
sign
of mass perturbed contrib
u
tion
commit
|
commitdiff
|
tree
2014-06-17
E
rik
Lindahl
Disabled replic
a
exchan
g
e whe
n
T not in order
commit
|
commitdiff
|
tree
2014-06-05
Berk Hess
Fixed shift and switch modifier
s
, parti
c
ula
r
l
y
f
o
r
.
.
.
commit
|
commitdiff
|
tree
2014-06-02
Erik Lindahl
Added grompp checks for zero atom m
a
ss
e
s i
n
state B
commit
|
commitdiff
|
tree
2014-06-01
Erik Lindahl
Two quotes contributed by Ved
r
an Mi
l
etic
commit
|
commitdiff
|
tree
2014-05-27
R
oland Schulz
M
erg
e
rel
e
ase-4-6
i
nto release
-
5
-0
commit
|
commitdiff
|
tree
2014-05-20
M
ark A
b
r
a
ham
Fix copyrig
h
t
y
ears for new code
commit
|
commitdiff
|
tree
2014-05-13
Mark Abra
h
am
Prohibit
AVX_256 with b
u
ggy gc
c
4
.
6
.
1
commit
|
commitdiff
|
tree
2014-04-29
Mark Abraham
M
erge bran
c
h r
e
leas
e
-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-04-10
Mar
k
Abraham
Merge branch 'r
e
l
e
ase-4-6' into rel
e
ase-5-0
commit
|
commitdiff
|
tree
2014-04-07
Mark
Ab
r
ah
a
m
Version bump for
5
.
0-rc1
commit
|
commitdiff
|
tree
2014-03-31
Teemu
Murtola
Remove #include <
.
.
.
> for local fil
e
s in gmx-view
commit
|
commitdiff
|
tree
2014-03-26
Mark Abr
a
ha
m
F
i
x
u
se
of
i
nline
i
n IMD
commit
|
commitdiff
|
tree
2014-03-23
Mark A
b
ra
h
a
m
Merge bra
n
ch release-4-6
commit
|
commitdiff
|
tree
2014-03-18
Mark Abr
a
ham
Revert "Add
e
d
new am
b
er
9
9sb-
i
ldn-
b
sc0 fo
r
ce f
i
eld
.
"
commit
|
commitdiff
|
tree
2014-03-17
M
ark Abraham
House-keep
i
ng for M
T
TK
commit
|
commitdiff
|
tree
2014-03-17
Mark Abraham
Me
r
ge branch rel
e
as
e
-
4
-6
commit
|
commitdiff
|
tree
2014-03-11
Rossen Apostol
o
v
Re
m
ove
d
.
itp fi
l
es from
t
op
level d
i
rectory
.
commit
|
commitdiff
|
tree
2014-03-06
Mark Abraham
Fix
f
ormatt
i
ng in install gu
i
de
commit
|
commitdiff
|
tree
2014-03-06
Mar
k
Abraham
Fix
C
Make syntax e
r
ror
commit
|
commitdiff
|
tree
2014-03-03
Ma
r
k Abraham
Fix calling
S
IMD group kernels
commit
|
commitdiff
|
tree
2014-02-26
R
o
l
and Schulz
U
s
e
redu
c
e i
n
p
me
commit
|
commitdiff
|
tree
2014-02-26
Erik L
i
n
dahl
R
e
de
s
ig
n
e
d
SIMD module and unit tests
.
commit
|
commitdiff
|
tree
2014-02-24
Berk Hess
Impl
e
mented LJ-PME nbn
x
n k
e
rnels
commit
|
commitdiff
|
tree
2014-02-21
Szilar
d
Pal
l
porta
b
ili
t
y aspe
c
ts in install guid
e
+
m
inor tweak
s
commit
|
commitdiff
|
tree
2014-02-19
Berk
H
e
ss
Imp
l
emented nbnxn LJ s
w
itc
h
functions
commit
|
commitdiff
|
tree
2014-02-18
Mark Abrah
a
m
F
ix out
s
tanding references t
o
"C
P
U acceleration"
commit
|
commitdiff
|
tree
2014-02-18
Mark Abra
h
am
E
x
tend
T
estFile
M
ana
g
er
commit
|
commitdiff
|
tree
2014-02-16
M
ark Abraham
Fix tes
t
reference data acc
i
den
t
ally broken
commit
|
commitdiff
|
tree
2014-02-11
Mark Abraham
Update stuff
for
o
ld
B
lueGene
commit
|
commitdiff
|
tree
2014-02-09
Teemu Murtola
Make 'gmx
-h' invariant
wrt
.
pr
o
vided o
p
tions
commit
|
commitdiff
|
tree
2014-02-09
Teemu Mu
r
to
l
a
Remove old hel
p
form
a
tting c
o
de
commit
|
commitdiff
|
tree
2014-02-09
Teemu M
u
r
tola
Make FileNameOption
behave
more
l
ike old filen
m
p
ars
e
r
commit
|
commitdiff
|
tree
2014-02-09
T
eem
u
Murtola
Imple
m
ent synopsis f
o
r
help outpu
t
commit
|
commitdiff
|
tree
2014-02-04
Mark Abra
h
am
U
s
e featur
e
to explai
n
that tpbcon
v
has moved
commit
|
commitdiff
|
tree
2014-02-01
Erik Lindahl
A
d
ded AVX2 detection to
c
m
a
k
e
a
nd created CPU acceleration
.
.
.
commit
|
commitdiff
|
tree
2014-01-29
M
a
rk A
b
r
aham
Keep c
l
ang
A
ddress Sanitizer hap
p
y
commit
|
commitdiff
|
tree
2014-01-28
Mark Abr
a
ham
Merg
e
branch 'release-4-6'
commit
|
commitdiff
|
tree
2014-01-28
Mark Ab
r
aham
Remove
unus
e
d fplog
commit
|
commitdiff
|
tree
2014-01-27
Mark Ab
r
a
ham
Don't number a list
m
a
n
u
all
y
commit
|
commitdiff
|
tree
2014-01-21
M
a
rk
A
bra
h
am
Remov
e
hidden option to gmx du
m
p
commit
|
commitdiff
|
tree
2014-01-20
Mark
A
braham
R
e
move vari
o
u
s
outda
t
ed t
h
ings from the repo
commit
|
commitdiff
|
tree
2014-01-20
Mark Abraham
Renam
e
'gmx tpbconv
'
t
o
'gmx co
n
vert-tpr'
commit
|
commitdiff
|
tree
2014-01-20
Ma
g
nus Lundborg
A
dd TNG wri
t
ing
a
n
d rea
d
in
g
support
commit
|
commitdiff
|
tree
2014-01-09
Roland Sc
h
ulz
Remo
v
e remaining u
s
age of SIZEOF*
commit
|
commitdiff
|
tree
2014-01-08
Ma
r
k Abraham
Create
math module
commit
|
commitdiff
|
tree
2013-12-05
Mark
Abr
a
ham
Versi
o
n
b
ump
after 5
.
0-beta
1
release
commit
|
commitdiff
|
tree
2013-12-05
Mark Abr
a
ham
F
ix a
d
mini
s
trivi
a
commit
|
commitdiff
|
tree
2013-12-02
Mar
k
Abrah
a
m
Vers
i
on
b
ump after 4
.
6
.
5 release
commit
|
commitdiff
|
tree
2013-12-02
Berk Hess
Made
c
utoff-
s
cheme=V
e
r
l
et the defau
l
t
commit
|
commitdiff
|
tree
2013-12-02
Berk Hess
R
e
named
v
erlet-buf
f
er-
d
r
i
ft to verlet-bu
f
fer-to
l
erance
commit
|
commitdiff
|
tree
2013-12-02
Mark Abraham
Version bumps
before
r
e
l
ease
commit
|
commitdiff
|
tree
2013-12-02
Mark Abraha
m
Mer
g
e
branch 'r
e
lease-4-6'
commit
|
commitdiff
|
tree
2013-11-28
Teemu
Mur
t
o
l
a
Fix s
o
me #include probl
e
m
s
.
commit
|
commitdiff
|
tree
2013-11-27
Mark
A
braham
Fix
strange charact
e
r
i
n manual
commit
|
commitdiff
|
tree
2013-11-26
Berk Hess
Fix
e
d return valu
e
o
f
gmx_mtop_bonded
s
_
free_energy
commit
|
commitdiff
|
tree
2013-11-19
Mark Abraham
Fix inc
o
rrect v
a
r
i
a
ble name
in
d
ocumentation
commit
|
commitdiff
|
tree
2013-11-15
Mark Abraha
m
Merge branch
r
el
e
ase-
4
-6
commit
|
commitdiff
|
tree
2013-11-13
Mark Abr
a
ham
Bump vers
i
on after
4
.
6
.
4 r
e
lease
commit
|
commitdiff
|
tree
2013-11-08
Mark
A
b
raham
Fix
m
alformed CMak
e
commit
|
commitdiff
|
tree
2013-10-26
Roland Schulz
Fix
NBNxN SIMD refer
e
nce k
e
rnels
commit
|
commitdiff
|
tree
2013-10-26
Mark
Abraham
Encapsu
l
ate gmx_wallclock_accounting_t into new timing
.
.
.
commit
|
commitdiff
|
tree
2013-10-23
M
ark Abraham
Merge
bra
n
ch release-4
-
6 into
m
a
s
t
e
r
commit
|
commitdiff
|
tree
2013-10-20
Mark Abr
a
ham
Remove html t
a
rget from an
d
excessive PDF
s
for
m
anual
commit
|
commitdiff
|
tree
2013-10-14
Szilard P
a
ll
use CUDA texture obj
e
cts whe
n
supported
commit
|
commitdiff
|
tree
2013-10-08
Mar
k
Abraham
Re
m
ov
e
som
e
unused
variables f
r
om MD loop
commit
|
commitdiff
|
tree
2013-10-06
Ma
r
k
Ab
r
aham
Fixed triggeri
n
g of CPU accel
e
ration-scheme
d
e
t
ection
commit
|
commitdiff
|
tree
2013-10-04
Teemu Murtola
Clea
n
u
p
C
T
est usage
.
commit
|
commitdiff
|
tree
2013-10-03
Christoph J
u
nghans
Fix par
a
llel
b
uild
fo
r
G
M
X_B
U
ILD_O
W
N_FFTW
commit
|
commitdiff
|
tree
2013-09-26
Mark Abra
h
am
Merge bran
c
h release-4-6
commit
|
commitdiff
|
tree
2013-09-26
M
a
r
k
Abraham
Remove Ge
n
eral Coupling Theory stuff
commit
|
commitdiff
|
tree
2013-09-20
Mark
Abraham
M
e
rge br
a
nch 'release-4-6'
commit
|
commitdiff
|
tree
2013-08-15
Mark
Abraham
Productive
afte
r
noon of meetings
.
.
.
mor
e
quotes!
commit
|
commitdiff
|
tree
2013-08-09
Mark
A
braham
R
eordered FFTW fatal error; avoid
s
us
i
ng uns
e
t
variab
l
e
s
commit
|
commitdiff
|
tree
2013-07-26
Ma
r
k Abraham
Mer
g
e
b
ranch release-
4
-6 into master
commit
|
commitdiff
|
tree
2013-07-24
Mark Abrah
a
m
Merge br
a
nch release-4-6 into master
commit
|
commitdiff
|
tree
next