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
Version 5.0.4
2014-12-15
Mark
A
b
r
a
ham
Ver
s
ion
5
.
0
.
4
commit
|
commitdiff
|
tree
2014-12-15
Mark Abrah
a
m
Merge "Merge
release-4-6 into release-5-0" i
n
to rel
e
ase-
5
-
0
commit
|
commitdiff
|
tree
2014-12-11
Mark
Abraham
Merge release-4-6 into release-5
-
0
commit
|
commitdiff
|
tree
2014-12-09
Mark A
b
r
a
h
am
V
ersion bumps after new release
commit
|
commitdiff
|
tree
2014-12-09
M
a
r
k
Abr
a
h
a
m
Ver
s
io
n
5
.
0
.
3
commit
|
commitdiff
|
tree
2014-12-08
Mark A
b
raham
Fix group
-
scheme bug
with
c
hanging LJ paramete
r
s in FE
commit
|
commitdiff
|
tree
2014-11-27
Mark Abra
h
a
m
Remove use
o
f
interac
t
ion_mask_indi
c
es
o
n BG/Q
commit
|
commitdiff
|
tree
2014-11-27
Mark Abraham
Merge
bra
n
ch r
e
lease-4-6 into release-5
-
0
commit
|
commitdiff
|
tree
2014-10-17
Mark
Abra
h
am
Exten
d
gmo
c
k
to turn
o
f
f socket
l
istener
commit
|
commitdiff
|
tree
2014-10-13
Ma
r
k Abr
a
ham
M
er
g
e release
-
4
-
6 int
o
r
elease-5-0
commit
|
commitdiff
|
tree
2014-10-06
Mark Abraham
Fix trjconv -
s
plit not cl
o
s
ing
f
iles
commit
|
commitdiff
|
tree
2014-10-01
Mark Abrah
a
m
Version b
u
mps after new rele
a
se
commit
|
commitdiff
|
tree
2014-10-01
Mark Abrah
a
m
Vers
i
o
n 5
.
0
.
2
commit
|
commitdiff
|
tree
2014-09-29
Mark Abraham
Merge "Merge releas
e
-4-
6
into r
e
lease-5-0" into rele
a
se-5-0
commit
|
commitdiff
|
tree
2014-09-18
Mark Abrah
a
m
Merge branch release-4-6 into release-
5
-0
commit
|
commitdiff
|
tree
2014-09-11
Mark A
b
raham
Remove
do
c
ument
a
tion refer
e
n
ces to optimi
z
e-f
f
t
commit
|
commitdiff
|
tree
2014-09-05
Mark Abraham
Version
b
umps
aft
e
r new release
commit
|
commitdiff
|
tree
2014-09-05
Mark
A
braham
Ver
s
ion 5
.
0
.
1
commit
|
commitdiff
|
tree
2014-09-03
Ma
r
k Abrah
a
m
Fix mis
-
u
s
e of f
a
b
s in LAPACK
commit
|
commitdiff
|
tree
2014-09-03
Mark
A
braham
M
o
r
e hacking to get
the tem
p
late to detect a
n
d
b
ui
l
d
commit
|
commitdiff
|
tree
2014-09-01
Mark Ab
r
aham
Fix
and document issues with
templat
e
.
cpp
commit
|
commitdiff
|
tree
2014-09-01
Mark Abraham
Me
r
g
e "Merge br
a
nch release-4-6
i
nto
rel
e
ase-5-0" i
n
to
.
.
.
commit
|
commitdiff
|
tree
2014-09-01
Mark Abraham
Fix
e
s and
updates to B
l
ueGene/Q sup
p
ort
commit
|
commitdiff
|
tree
2014-09-01
Mark Abraham
Merge branch
rele
a
se-4-6 into release-5-
0
commit
|
commitdiff
|
tree
2014-09-01
Mark Abr
a
ham
Merg
e
"Merge branch release-4-6 into release-5-0"
into
.
.
.
commit
|
commitdiff
|
tree
2014-08-29
Mark Abrah
a
m
Ver
s
ion bump aft
e
r 4
.
6
.
7
commit
|
commitdiff
|
tree
2014-08-29
M
a
rk Abraha
m
M
er
g
e branch release-4-6 into releas
e
-5-0
commit
|
commitdiff
|
tree
2014-08-23
M
a
rk Abraha
m
General
i
ze markdown configuratio
n
mach
i
nery
commit
|
commitdiff
|
tree
2014-08-23
M
a
rk Abr
a
ham
Unify do
c
ume
n
tation for webpag
e
build
commit
|
commitdiff
|
tree
2014-08-22
Mark Abr
a
h
a
m
Fix zlib usage with
T
N
G
commit
|
commitdiff
|
tree
2014-08-16
Mark Ab
r
a
ham
F
ix gmx tu
n
e_pme with LJ-PME
commit
|
commitdiff
|
tree
2014-08-16
M
ark Abr
a
ham
Fix wallc
y
cle c
o
unting with md-vv, sd and sd
2
commit
|
commitdiff
|
tree
2014-07-09
Mark
A
braham
N
a
m
e the tarb
a
ll h
o
w we like it
commit
|
commitdiff
|
tree
2014-07-09
Mark Abr
a
h
am
Quie
t
e
n
repeated cmak
e
runs
commit
|
commitdiff
|
tree
2014-07-07
Mark Abraham
Fix tarball and install, pa
r
ticular
l
y for INSTALL
commit
|
commitdiff
|
tree
2014-07-07
Mark Abraham
Vers
i
on bump after 4
.
6
.
6 rele
a
se
commit
|
commitdiff
|
tree
2014-07-01
Mark Abraha
m
Fix
G
Mock to
w
ork on
M
SVC
commit
|
commitdiff
|
tree
2014-06-29
M
ark Abraham
V
e
rsion bum
p
f
o
r 5
.
0
commit
|
commitdiff
|
tree
2014-06-29
Mark Abraha
m
A
d
d fo
r
gotten licenses
t
o
COPY
I
NG
commit
|
commitdiff
|
tree
2014-06-29
Mark Abraham
Refer to "mi
x
ed
"
precision
in u
s
er-facing docume
n
tation
commit
|
commitdiff
|
tree
2014-06-29
Mar
k
Abraham
Convert install guid
e
t
o
markdown
commit
|
commitdiff
|
tree
2014-06-29
Mark Abraham
Merg
e
"
M
e
r
g
e
releas
e
-4-6 into rel
e
a
se-5-0" into rel
e
ase-5
-
0
commit
|
commitdiff
|
tree
2014-06-28
M
ark Abraham
Merge
branch 'rel
e
ase-4-6' into rele
a
se-
5
-0
commit
|
commitdiff
|
tree
2014-06-28
Mark Abraham
U
se
paralle
l
terminology m
o
re
consistently
commit
|
commitdiff
|
tree
2014-06-26
Ma
r
k Abraham
Mer
g
e "Merge
re
l
eas
e
-4-6 into release-5-0" into release-5-0
commit
|
commitdiff
|
tree
2014-06-24
Mark
A
braham
M
anua
l
fix
e
s
commit
|
commitdiff
|
tree
2014-06-18
M
a
rk A
b
ra
h
am
Made mdrun
w
a
rn
w
hen g
e
neric kern
e
ls
a
re used
commit
|
commitdiff
|
tree
2014-06-06
Mark Abrah
a
m
Merge release-4-6 into rele
a
se-5-0
commit
|
commitdiff
|
tree
2014-06-05
M
ark A
b
r
a
ham
New quotes
commit
|
commitdiff
|
tree
2014-06-03
Mark
A
braham
U
s
e RNG correctly
f
or v-r
e
scale thermostat
commit
|
commitdiff
|
tree
2014-05-30
M
a
rk
A
b
raham
Fi
n
alize cha
n
ge
from GMX_CPU
_
ACCELERATION to GMX_SIMD
commit
|
commitdiff
|
tree
2014-05-22
Mark
Abra
h
am
Add fatal e
r
rors
f
o
r VV
and t
w
i
n
-range MTS
commit
|
commitdiff
|
tree
2014-05-22
M
ark Abraham
Clarified docs f
o
r
u
se
of mdrun
-nstlist
commit
|
commitdiff
|
tree
2014-05-20
M
ark Abra
h
a
m
F
ix copyrig
h
t years for ne
w
c
o
de
commit
|
commitdiff
|
tree
2014-05-20
Mark Abraham
Ad
d
note about correct cal
l
ing of
w
allcycl
e
co
u
nter
commit
|
commitdiff
|
tree
2014-05-18
Ma
r
k
Ab
r
a
h
am
Fix indentin
g
of
.
tpr parameter dump in mdrun
l
o
g file
commit
|
commitdiff
|
tree
2014-05-13
M
ark Abraham
Prohibit AVX_256 with bu
g
gy gcc
4
.
6
.
1
commit
|
commitdiff
|
tree
2014-04-29
Ma
r
k Abraham
M
e
rge b
r
anch release-4-
6
into release-5
-
0
commit
|
commitdiff
|
tree
2014-04-16
Mark Abr
a
ham
Fix and si
m
pl
i
fy
versi
o
n matchin
g
for ru
n
n
i
ng tests
commit
|
commitdiff
|
tree
2014-04-10
Mark Abraham
M
erge branch 'release-4-
6
' into release-5-0
commit
|
commitdiff
|
tree
2014-04-10
M
ark Abraham
F
ur
t
h
e
r fix t
o
gmx tune-pme
commit
|
commitdiff
|
tree
2014-04-07
Mark Abraham
Fix
invalid derefere
n
ce in g_tune_pme
commit
|
commitdiff
|
tree
2014-04-07
Ma
r
k
Ab
r
a
h
a
m
Version bump for 5
.
0-rc
1
commit
|
commitdiff
|
tree
2014-04-03
Mark Ab
r
aham
M
o
ve string-
p
a
r
sing code to where it ca
n
be reused
commit
|
commitdiff
|
tree
2014-04-02
Ma
r
k Abraha
m
Fi
x
es for g_tune_pme for 5
.
0
commit
|
commitdiff
|
tree
2014-04-02
Mark
Abraha
m
F
i
x bug a
c
c
u
mulating nra
n
k_pp_intranode on PME r
a
n
k
s
commit
|
commitdiff
|
tree
2014-04-02
Ma
r
k
Abraham
Re-u
s
e gmx_greatest_common_divisor()
commit
|
commitdiff
|
tree
2014-03-31
Mark Abrah
a
m
Remov
e
quote
commit
|
commitdiff
|
tree
2014-03-26
M
a
rk Abrah
a
m
F
i
x use of inline in IM
D
commit
|
commitdiff
|
tree
2014-03-23
Mark Abraham
Keep CMa
k
e qui
e
t about n
o
n
-dete
c
t
i
on of option
a
l stuff
commit
|
commitdiff
|
tree
2014-03-23
Mark Abraham
Me
r
ge branch rel
e
ase-4-6
commit
|
commitdiff
|
tree
2014-03-23
Mark Abraham
Fix print
_
date_and_time
commit
|
commitdiff
|
tree
2014-03-18
Mark
Ab
r
a
ham
Revert "Ad
d
ed new amber99sb-ildn-bsc0
force field
.
"
commit
|
commitdiff
|
tree
2014-03-18
M
ark Abraham
Removed m
o
re stuff
r
el
a
ted to gmx
.
ff and
g
mx2
.
ff
commit
|
commitdiff
|
tree
2014-03-17
Mark Abraham
House
-
ke
e
ping for MTT
K
commit
|
commitdiff
|
tree
2014-03-17
Mark Abraham
M
erge "M
e
rge branc
h
releas
e
-4-6"
commit
|
commitdiff
|
tree
2014-03-17
Mark Abraham
Merg
e
bra
n
ch release-4
-
6
commit
|
commitdiff
|
tree
2014-03-17
M
ark Abraham
Fix perturbation to Verle
t
scheme when no
t
pertur
b
ing
commit
|
commitdiff
|
tree
2014-03-11
Mark Abra
h
am
Fix MK
L
lin
k
in
g
commit
|
commitdiff
|
tree
2014-03-11
Mark Abraham
A
v
oid arra
y
-bounds wa
r
nings w
i
t
h gcc 4
.
8
.
2
commit
|
commitdiff
|
tree
2014-03-10
Ma
r
k
A
b
raham
Fix dependenc
y
on swapcoords enums
commit
|
commitdiff
|
tree
2014-03-06
Mar
k
A
br
a
ham
Fix formatting in install
g
uide
commit
|
commitdiff
|
tree
2014-03-06
Mark Abrah
a
m
Fix C
M
ak
e
syntax error
commit
|
commitdiff
|
tree
2014-03-05
Mark Abraham
M
erge "Merge release-4-6 into master"
commit
|
commitdiff
|
tree
2014-03-04
Mark Abraham
Add enum and
d
o
cs for u
s
ing
t
px_v
e
rsion
commit
|
commitdiff
|
tree
2014-03-03
Mark Abraham
Fix calling SIMD group kernels
commit
|
commitdiff
|
tree
2014-03-01
Mark
Abraham
Add fa
t
al
e
rro
r
for Andersen+constrain
t
s+DD
commit
|
commitdiff
|
tree
2014-02-26
M
ark
Abraham
Add ThreadSa
n
itizer build type
commit
|
commitdiff
|
tree
2014-02-25
Mark Abraham
Keep compilers happ
y
on BG/
Q
commit
|
commitdiff
|
tree
2014-02-24
M
a
rk
A
braham
C
l
ean u
p
optio
n
s for dom
a
in de
c
o
m
pos
i
ti
o
n
commit
|
commitdiff
|
tree
2014-02-24
Mark Abraham
Permit
w
arning-
f
ree use of Anderse
n
thermostat
commit
|
commitdiff
|
tree
2014-02-24
Mar
k
Abra
h
am
Suppress icc warning for Boost
1
.
55 use of #p
r
a
gma
.
.
.
commit
|
commitdiff
|
tree
2014-02-21
Mark Abraham
Rei
n
state she
l
l code
with DD
commit
|
commitdiff
|
tree
2014-02-20
Mark Abra
h
am
Remove particle d
e
c
omposi
t
ion
commit
|
commitdiff
|
tree
2014-02-20
M
a
rk Abra
h
a
m
avo
i
d
m
drun crash whe
n
r
dtscp is not
suppor
t
ed
commit
|
commitdiff
|
tree
2014-02-20
Mark Ab
r
aham
A
d
d integration tes
t
s for replica exchan
g
e
commit
|
commitdiff
|
tree
2014-02-19
Mark Ab
r
aham
Mak
e
some variable names less
cry
p
tic
commit
|
commitdiff
|
tree
2014-02-18
M
ark Abrah
a
m
F
ix outstanding referen
c
es to "
C
P
U
a
c
cele
r
atio
n
"
commit
|
commitdiff
|
tree
2014-02-18
Mark Abra
h
a
m
Fix ha
r
mless bu
g
with combination of group a
n
d twin
.
.
.
commit
|
commitdiff
|
tree
2014-02-18
Mark Abr
a
h
a
m
Exte
n
d TestFileManager
commit
|
commitdiff
|
tree
next