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Version bumps after new release
2014-12-09
Mark A
b
r
a
h
a
m
Versi
o
n bump
s
a
f
t
e
r
new release
commit
|
commitdiff
|
tree
2014-12-09
Mark Abraham
Version 5
.
0
.
3
commit
|
commitdiff
|
tree
2014-12-08
Ma
r
k
A
braham
Fix
g
roup-scheme bug
w
ith changing LJ para
m
eters in
F
E
commit
|
commitdiff
|
tree
2014-11-27
Mar
k
Abrah
a
m
Re
m
ov
e
u
se of
interaction_mask_indices on BG/Q
commit
|
commitdiff
|
tree
2014-11-27
Mark Abr
a
ham
M
e
rge
b
ranch releas
e
-4-6 into r
e
lease-5-0
commit
|
commitdiff
|
tree
2014-10-17
Mark
A
braham
Extend gmo
c
k to tur
n
off socket lis
t
ener
commit
|
commitdiff
|
tree
2014-10-13
Mark
Abrah
a
m
Merge rele
a
se-4
-
6 into
r
e
lease-5-0
commit
|
commitdiff
|
tree
2014-10-06
Mark Abra
h
am
Fi
x
trjconv -split n
o
t
closi
n
g
f
iles
commit
|
commitdiff
|
tree
2014-10-01
Mark Abraham
Versio
n
bum
p
s after new release
commit
|
commitdiff
|
tree
2014-10-01
Mark Abraham
Ve
r
sio
n
5
.
0
.
2
commit
|
commitdiff
|
tree
2014-09-29
M
ark Abraham
Merge "M
e
r
ge r
e
lease-4-6 into
release-5-0" i
n
to rel
e
ase-5-0
commit
|
commitdiff
|
tree
2014-09-18
Mar
k
Ab
r
aham
Me
r
g
e
b
r
a
n
ch re
l
ease-4-6 in
t
o rel
e
ase
-
5-
0
commit
|
commitdiff
|
tree
2014-09-11
Mark Abraham
Remove docum
e
ntation references to optimi
z
e-fft
commit
|
commitdiff
|
tree
2014-09-05
Mark Abraham
Ver
s
i
on bumps aft
e
r new rel
e
ase
commit
|
commitdiff
|
tree
2014-09-05
Mark A
b
r
aha
m
Version 5
.
0
.
1
commit
|
commitdiff
|
tree
2014-09-03
Mark
Ab
r
aham
Fix mis
-
use of f
a
bs
i
n
L
A
P
ACK
commit
|
commitdiff
|
tree
2014-09-03
Mark Abraham
Mor
e
hack
i
ng to g
e
t the
t
e
m
pl
a
te to
detect
a
nd bu
i
ld
commit
|
commitdiff
|
tree
2014-09-01
Mark Abraham
F
i
x and docume
n
t
issues with tem
p
late
.
c
p
p
commit
|
commitdiff
|
tree
2014-09-01
Mark Abraham
Merge "Merge br
a
nch r
e
lease-4-6 into rel
e
a
s
e-5-0
"
into
.
.
.
commit
|
commitdiff
|
tree
2014-09-01
Mark Abraha
m
F
i
xe
s
and updates t
o
BlueGen
e
/Q sup
p
ort
commit
|
commitdiff
|
tree
2014-09-01
Mark
A
braham
Merge branch release
-
4-6
into r
e
lease-5-0
commit
|
commitdiff
|
tree
2014-09-01
M
a
rk Abraham
Merge "M
e
rge branch release-4-6 into release-5-0
"
int
o
.
.
.
commit
|
commitdiff
|
tree
2014-08-29
Mark
A
braham
Versi
o
n bump
a
ft
e
r 4
.
6
.
7
commit
|
commitdiff
|
tree
2014-08-29
Mark A
b
ra
h
a
m
Merge branch
r
elease-4-6 into relea
s
e
-
5
-0
commit
|
commitdiff
|
tree
2014-08-23
M
a
rk Abraham
Generaliz
e
m
a
rkdown c
o
nfiguration
mac
h
i
nery
commit
|
commitdiff
|
tree
2014-08-23
Mark
Abrah
a
m
U
n
ify documentation for webpage build
commit
|
commitdiff
|
tree
2014-08-22
M
a
rk
A
b
ra
h
am
Fix zlib usage with TNG
commit
|
commitdiff
|
tree
2014-08-16
Mark Abraham
Fix gmx tune_pme with LJ-PME
commit
|
commitdiff
|
tree
2014-08-16
Mark Abraham
Fix w
a
llcycle counting
with md-vv, sd and sd
2
commit
|
commitdiff
|
tree
2014-07-09
Ma
r
k Ab
r
ah
a
m
Name
the tarb
a
ll how
we like it
commit
|
commitdiff
|
tree
2014-07-09
M
ark
Abraha
m
Q
u
ieten
r
e
p
eated cmake runs
commit
|
commitdiff
|
tree
2014-07-07
Mark Ab
r
aha
m
Fix tarball and install,
p
articular
l
y for INSTALL
commit
|
commitdiff
|
tree
2014-07-07
Mark Abraham
Ver
s
io
n
bump a
f
te
r
4
.
6
.
6 rel
e
ase
commit
|
commitdiff
|
tree
2014-07-01
Ma
r
k Abraham
Fix
GM
o
ck
t
o work on MSVC
commit
|
commitdiff
|
tree
2014-06-29
Mark Ab
r
ah
a
m
Version bump f
o
r 5
.
0
commit
|
commitdiff
|
tree
2014-06-29
Mar
k
Ab
r
aha
m
Add
forgott
e
n license
s
to COPYING
commit
|
commitdiff
|
tree
2014-06-29
Ma
r
k
Abraham
Refer to "mixed
"
pr
e
cision in us
e
r-facing doc
u
m
entation
commit
|
commitdiff
|
tree
2014-06-29
Mark
A
b
r
aham
C
o
nver
t
instal
l
guide to markdown
commit
|
commitdiff
|
tree
2014-06-29
M
ark Abrah
a
m
Merge "Merge re
l
ease-4-6 into
release-5-0
"
i
nto rel
e
ase-5
-
0
commit
|
commitdiff
|
tree
2014-06-28
Mark Abraham
M
erge b
r
anch 'r
e
lease-4-6'
i
nto r
e
lease-5-0
commit
|
commitdiff
|
tree
2014-06-28
Mark
A
braham
Use pa
r
allel te
r
minolo
g
y more consiste
n
tly
commit
|
commitdiff
|
tree
2014-06-26
Ma
r
k
Abraham
Merge "Merge releas
e
-4-
6
i
nto release-
5
-0" int
o
re
l
eas
e
-5-0
commit
|
commitdiff
|
tree
2014-06-24
Mark Abraham
Manual fixe
s
commit
|
commitdiff
|
tree
2014-06-18
M
ark
A
b
r
a
h
am
Made
mdrun war
n
when generic
kernels are used
commit
|
commitdiff
|
tree
2014-06-06
Mark Abraham
Merge rel
e
ase-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-06-05
Mark Abraham
New quotes
commit
|
commitdiff
|
tree
2014-06-03
Mark Abraham
U
s
e RNG correct
l
y
f
o
r v-rescale thermosta
t
commit
|
commitdiff
|
tree
2014-05-30
Mark Abraham
Finalize c
h
ange from
GMX_CPU_ACCELERATION to GMX
_
SIMD
commit
|
commitdiff
|
tree
2014-05-22
Mark
Abraham
Add
f
ata
l
errors for VV and tw
i
n-range MTS
commit
|
commitdiff
|
tree
2014-05-22
Mark Abraham
Clarified docs for use of mdrun -
n
stli
s
t
commit
|
commitdiff
|
tree
2014-05-20
Mark
Abr
a
ham
Fix
c
opyright years for new
c
ode
commit
|
commitdiff
|
tree
2014-05-20
M
a
rk Abraham
A
d
d
n
o
t
e about co
r
rect calling of wal
l
cycl
e
co
u
nter
commit
|
commitdiff
|
tree
2014-05-18
Ma
r
k
Abraham
Fi
x
indenting of
.
tpr par
a
m
e
t
er du
m
p
in mdrun
l
og
f
ile
commit
|
commitdiff
|
tree
2014-05-13
Mark Abraham
Proh
i
bit AVX_256 wit
h
buggy gc
c
4
.
6
.
1
commit
|
commitdiff
|
tree
2014-04-29
Mark
Ab
r
aham
M
e
r
g
e br
a
n
c
h release-4-6 into relea
s
e-5-0
commit
|
commitdiff
|
tree
2014-04-16
Mark Abraham
Fix
a
n
d
simplify versi
o
n mat
c
hing
for running
tes
t
s
commit
|
commitdiff
|
tree
2014-04-10
Ma
r
k
Abraham
Merge branch 're
l
ease-4-6' into
r
elease-5-0
commit
|
commitdiff
|
tree
2014-04-10
Mark A
b
r
a
ham
F
u
r
t
h
er fix to gmx tu
n
e
-pme
commit
|
commitdiff
|
tree
2014-04-07
Mar
k
Abraham
Fix inv
a
lid dereference in g_tune_pme
commit
|
commitdiff
|
tree
2014-04-07
Mark Abrah
a
m
V
ersion bump for 5
.
0
-
rc1
commit
|
commitdiff
|
tree
2014-04-03
Mark Abraha
m
M
o
ve strin
g
-parsing code to where it can
b
e reused
commit
|
commitdiff
|
tree
2014-04-02
Mark
Abraham
Fixe
s
for g_tune_pme for 5
.
0
commit
|
commitdiff
|
tree
2014-04-02
M
a
rk
A
b
raham
Fix bug accumulating nrank_pp_intra
n
ode
o
n PME rank
s
commit
|
commitdiff
|
tree
2014-04-02
Mark
A
braha
m
Re-u
s
e
gmx_great
e
st_c
o
mm
o
n_d
i
vi
s
or()
commit
|
commitdiff
|
tree
2014-03-31
Mark Abraham
Remove quote
commit
|
commitdiff
|
tree
2014-03-26
M
ark Abraham
Fix u
s
e of in
l
ine in I
M
D
commit
|
commitdiff
|
tree
2014-03-23
M
a
rk Abraham
Keep CMake quie
t
about n
o
n-detecti
o
n
o
f opt
i
ona
l
stuff
commit
|
commitdiff
|
tree
2014-03-23
Mark Abraham
M
e
rge
branch release
-
4-6
commit
|
commitdiff
|
tree
2014-03-23
M
a
rk
A
b
r
aham
F
i
x print_date_and_time
commit
|
commitdiff
|
tree
2014-03-18
Ma
r
k Abraham
Revert "A
d
ded n
e
w amber99s
b
-i
l
dn-bsc
0
f
o
r
ce field
.
"
commit
|
commitdiff
|
tree
2014-03-18
M
ark Abraham
R
e
moved
more stuff relat
e
d t
o
gmx
.
ff and gmx2
.
ff
commit
|
commitdiff
|
tree
2014-03-17
Mark
Abr
a
h
am
House
-
keeping for MTTK
commit
|
commitdiff
|
tree
2014-03-17
Mark Abraha
m
M
e
rg
e
"Merge branc
h
release
-
4-6"
commit
|
commitdiff
|
tree
2014-03-17
Ma
r
k Abraham
Merg
e
branch release
-
4-6
commit
|
commitdiff
|
tree
2014-03-17
Mark Abra
h
a
m
Fix pert
u
rbation to V
e
rlet scheme when not
p
e
rtu
r
bing
commit
|
commitdiff
|
tree
2014-03-11
Ma
r
k Abrah
a
m
F
i
x
MKL linking
commit
|
commitdiff
|
tree
2014-03-11
Ma
r
k Ab
r
aha
m
A
v
o
id a
r
r
ay-bound
s
w
arnin
g
s with g
c
c
4
.
8
.
2
commit
|
commitdiff
|
tree
2014-03-10
Mark Abraha
m
Fix dependency on swapcoords enu
m
s
commit
|
commitdiff
|
tree
2014-03-06
M
ark Abraham
Fix
f
ormatting i
n
install guide
commit
|
commitdiff
|
tree
2014-03-06
Mark Abraham
Fix C
M
ake syntax error
commit
|
commitdiff
|
tree
2014-03-05
Mark
Abraha
m
Merge "Merge release-4-6 i
n
to maste
r
"
commit
|
commitdiff
|
tree
2014-03-04
Mark Abraham
Add enum and docs f
o
r us
i
n
g tpx_v
e
rsion
commit
|
commitdiff
|
tree
2014-03-03
Mark A
b
r
aham
Fix cal
l
ing SIMD grou
p
kernels
commit
|
commitdiff
|
tree
2014-03-01
M
ark Abraham
Add fatal
e
rror fo
r
Ande
r
s
e
n+co
n
str
a
ints+DD
commit
|
commitdiff
|
tree
2014-02-26
Mark Abraham
Add
Th
r
e
adSanitize
r
build type
commit
|
commitdiff
|
tree
2014-02-25
Mark Abraham
Keep compilers happ
y
on BG/Q
commit
|
commitdiff
|
tree
2014-02-24
Mark Abraha
m
Cl
e
an up
o
ptions for domain deco
m
p
o
s
i
t
ion
commit
|
commitdiff
|
tree
2014-02-24
Mark A
b
raham
Perm
i
t
w
arning-free use of Anderse
n
thermostat
commit
|
commitdiff
|
tree
2014-02-24
M
a
rk Abra
h
a
m
Suppress icc warnin
g
for Boost 1
.
55
u
s
e
of #pragm
a
.
.
.
commit
|
commitdiff
|
tree
2014-02-21
Mark Abraham
Rein
s
tate shell cod
e
with DD
commit
|
commitdiff
|
tree
2014-02-20
Ma
r
k Abraham
Remove particle decomposition
commit
|
commitdiff
|
tree
2014-02-20
M
a
r
k
Abr
a
ham
avoid mdrun crash wh
e
n
rdtscp is not s
u
pported
commit
|
commitdiff
|
tree
2014-02-20
M
ark Abraham
Add integratio
n
tests for
r
eplica e
x
change
commit
|
commitdiff
|
tree
2014-02-19
Mark Abraham
Make s
o
m
e
variable name
s
l
ess cryptic
commit
|
commitdiff
|
tree
2014-02-18
Mark
Abr
a
ham
F
i
x
outstan
d
i
ng
r
eferen
c
e
s
t
o
"
C
PU acceleratio
n
"
commit
|
commitdiff
|
tree
2014-02-18
Mark
Abraham
F
ix har
m
less bug with c
o
m
b
ina
t
ion
o
f group
a
nd twin
.
.
.
commit
|
commitdiff
|
tree
2014-02-18
M
ark Abr
a
ham
Extend TestFileManager
commit
|
commitdiff
|
tree
2014-02-16
Mark Abr
a
ham
Fix test referenc
e
data acc
i
dentall
y
broken
commit
|
commitdiff
|
tree
2014-02-16
Mark Abraha
m
Remove support
for
.
g87 and
.
xyz I/O fo
r
mats
commit
|
commitdiff
|
tree
2014-02-12
Mark Abraham
Refa
c
tored 'solvate' and 'insert-molecules'
commit
|
commitdiff
|
tree
next