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Merge branch release-5-0 into release-5-1
2015-08-08
Mark Abraham
Merge branc
h
release-5
-
0 i
n
to release-5-1
commit
|
commitdiff
|
tree
2015-08-08
Mark Abraham
Fix doc
s
o
f
ftyp
e
s
o
f dihedra
l
s
commit
|
commitdiff
|
tree
2015-08-04
Mark Abra
h
am
Merge release-5-0 into release-5
-
1
commit
|
commitdiff
|
tree
2015-08-03
Mark Abraha
m
Fix poss
i
ble li
n
king of
libxml2 t
o
z
l
ib
commit
|
commitdiff
|
tree
2015-07-26
Mark Abrah
a
m
Me
r
ge branch release-5-0 i
n
to release-5-1
commit
|
commitdiff
|
tree
2015-07-26
Mark Ab
r
a
h
am
V
e
rsion bum
p
s after new r
e
l
e
ase
commit
|
commitdiff
|
tree
2015-07-24
M
a
rk Abraham
Ve
r
sion
5
.
0
.
6
commit
|
commitdiff
|
tree
2015-07-06
Mark
A
bra
h
a
m
Fir
s
t 5
.
1 re
l
ea
s
e candidate
commit
|
commitdiff
|
tree
2015-07-06
Berk Hess
Fix too s
m
all G
P
U pa
i
r count
es
t
i
m
ate
s
commit
|
commitdiff
|
tree
2015-07-06
B
e
r
k Hess
Fix bug in
G
PU list balanci
n
g
commit
|
commitdiff
|
tree
2015-06-29
M
ark Abraham
Merge branch rel
e
ase-
5
-0
commit
|
commitdiff
|
tree
2015-06-29
Ma
r
k Ab
r
aham
Doc
u
men
t
ed
build
types in
d
ev
e
loper guide
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
M
e
rge r
e
lease-4-6 into release-5-0
commit
|
commitdiff
|
tree
2015-06-29
M
ark
A
b
rah
a
m
Fix al
l
use of nbnxn
_
simd
.
h
commit
|
commitdiff
|
tree
2015-06-27
Berk
H
e
ss
Improve pair
search t
h
read load balance
commit
|
commitdiff
|
tree
2015-06-27
Mark Abra
h
am
Me
r
g
e
r
e
l
e
ase-5-0 into master
commit
|
commitdiff
|
tree
2015-06-26
Mark
A
braham
Merge release-4-6 into rele
a
se-5-0
commit
|
commitdiff
|
tree
2015-06-25
Er
i
k Lindahl
Fix edr appending and exact
c
o
n
tinu
a
t
i
on
commit
|
commitdiff
|
tree
2015-06-25
Erik Lindahl
Fix binar
y
exact cont
i
nuation for trajecto
r
ies
commit
|
commitdiff
|
tree
2015-06-25
M
ark Abraham
Me
r
ge release-5-0 into maste
r
commit
|
commitdiff
|
tree
2015-06-24
Mark
Abraham
Merg
e
relea
s
e-4-6 into re
l
ease-5-0
commit
|
commitdiff
|
tree
2015-06-15
R
o
ssen Apostolov
B
u
i
l
di
n
g own fftw
n
ow uses versio
n
3
.
3
.
4
commit
|
commitdiff
|
tree
2015-06-12
M
ark A
b
raham
Fix commandline test data
commit
|
commitdiff
|
tree
2015-06-09
Mar
k
Abr
a
ham
Merge branc
h
release-4-6 into release-5
-
0
commit
|
commitdiff
|
tree
2015-06-09
T
e
emu Mu
r
t
ola
Resolve one TODO for command line he
l
p te
s
ts
commit
|
commitdiff
|
tree
2015-05-28
Tee
m
u
Murtola
I
m
pro
v
e list
s
in user guide for selections
commit
|
commitdiff
|
tree
2015-05-26
Mark Abraham
Con
v
ert e
w
ald module to C++
commit
|
commitdiff
|
tree
2015-05-26
Mar
k
A
b
rah
a
m
Fix use of
h
ard-cod
e
d temporary filename
commit
|
commitdiff
|
tree
2015-05-19
Mark Ab
r
a
ham
Add check
s
for cor
r
e
c
t us
e
of SIMD headers
.
commit
|
commitdiff
|
tree
2015-05-17
Ma
r
k Abrah
a
m
Merge branch origin
/
re
l
ea
s
e-5-0
commit
|
commitdiff
|
tree
2015-05-15
Sz
i
l
a
rd Pall
Ass
e
rt
t
he size
o
f non-bonded
G
PU
work
u
nit
s
commit
|
commitdiff
|
tree
2015-05-13
Mark Abraham
Version b
u
mps a
f
ter new
release
commit
|
commitdiff
|
tree
2015-05-13
M
ark Ab
r
aham
Version 5
.
0
.
5
commit
|
commitdiff
|
tree
2015-05-12
Rossen
Apostolo
v
Added a n
o
te
about s
c
-cou
l
being auto turne
d
o
n
.
commit
|
commitdiff
|
tree
2015-05-09
M
a
rk Ab
r
a
ham
Merge branch release-5
-
0
commit
|
commitdiff
|
tree
2015-05-05
Mark Abraham
M
erge
r
elease-4
-
6
into release-5
-
0
commit
|
commitdiff
|
tree
2015-04-30
Mark
A
braham
Move GP
U
i
m
ple
m
entatio
n
to n
e
w interfa
c
e
commit
|
commitdiff
|
tree
2015-04-23
Mark Abraham
First
b
e
ta release o
f
5
.
1
commit
|
commitdiff
|
tree
2015-04-09
Mark Abraham
Merge branch release-5-0
commit
|
commitdiff
|
tree
2015-04-08
Mark Abr
a
h
a
m
Up
d
ate mdrun Doxygen
commit
|
commitdiff
|
tree
2015-04-08
Mark Abraham
Made pme_wo
r
k_t opaque
commit
|
commitdiff
|
tree
2015-03-30
Erik
L
indahl
Quote from Szilard'
s
talk at GTC2015
commit
|
commitdiff
|
tree
2015-03-19
Mark Abraham
Mad
e
error
m
essage mo
r
e ge
n
eric
commit
|
commitdiff
|
tree
2015-03-19
Mark Abraham
E
xt
e
nd Force sub-counters
commit
|
commitdiff
|
tree
2015-03-04
Berk Hess
Allow pull groups
of 1 atom wi
t
h mass 0
commit
|
commitdiff
|
tree
2015-03-03
Rolan
d
Schu
l
z
nbnxn utils
p
erform
a
nce improvement for
P
h
i
commit
|
commitdiff
|
tree
2015-03-03
M
ar
k
Abr
a
ham
Move mdrun
s
ignal
l
ing code
commit
|
commitdiff
|
tree
2015-03-02
M
a
r
k
A
braham
R
un
replica-exchange
t
ests w
i
th MP
I
enabled
commit
|
commitdiff
|
tree
2015-02-25
M
ark Abraham
New an
d
re
o
rganized documentation
commit
|
commitdiff
|
tree
2015-02-24
Ak
e
Sandgren
The t
e
st
for HAVE_
C
XX11_REGEX fails since it do
e
sn
.
.
.
commit
|
commitdiff
|
tree
2015-02-24
Ake Sandgren
Checks should use corr
e
ct
C
MAKE_
R
EQUI
R
E
D
_ va
r
i
a
bl
e
s
commit
|
commitdiff
|
tree
2015-02-24
Erik
L
indahl
A
dded AVX-
5
12ER
SIM
D
su
p
port
commit
|
commitdiff
|
tree
2015-02-13
M
a
rk Abraham
Fix mdrun-only
b
u
ild
commit
|
commitdiff
|
tree
2015-02-13
T
e
emu Mu
r
tola
Replace
m
ore [
B
R] wi
t
h rst bullet lists
commit
|
commitdiff
|
tree
2015-02-13
Teemu
M
urtola
Move flow
chart
from old-html to
Sphi
n
x
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Make (most) HTML link
s
t
o file
for
m
ats wor
k
a
g
a
in
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Convert fil
e
for
m
a
t
des
c
riptions to rs
t
commit
|
commitdiff
|
tree
2015-02-04
M
a
rk
A
br
a
ham
Im
p
lement user guide
commit
|
commitdiff
|
tree
2015-02-02
Mar
k
Abraham
M
erge bran
c
h relea
s
e-5-0
commit
|
commitdiff
|
tree
2015-02-02
Mark Abraham
Avoid near-sil
e
n
t generation of zero energies
commit
|
commitdiff
|
tree
2015-01-23
J
ohn
B
a
xter
C
lean
s
up stee
p
est de
s
ce
n
t
i
nit
i
al potential hack
commit
|
commitdiff
|
tree
2015-01-23
Mark Abraham
Up
d
a
te Fin
d
CUDA
work-ar
o
und
commit
|
commitdiff
|
tree
2015-01-22
J
o
hn
B
a
xte
r
Chang
e
d "st
r
uct swap" to
"
s
truct
t_swap"
commit
|
commitdiff
|
tree
2015-01-20
M
a
rk Ab
r
aham
Removed g
m
x
_
header_config
.
h
commit
|
commitdiff
|
tree
2015-01-15
Mark A
b
rah
a
m
Merge branch release-5-0
commit
|
commitdiff
|
tree
2015-01-08
M
ark Abraham
H
a
n
dl
e
i
vec* cor
r
ectly in DD error message
commit
|
commitdiff
|
tree
2015-01-05
Teem
u
Murtola
Support subset
of rve
c
a
rray as i
n
put
f
or
a
nalysis
.
.
.
commit
|
commitdiff
|
tree
2014-12-15
M
a
rk
Abra
h
am
Merge b
r
a
n
ch 'release-5-0'
commit
|
commitdiff
|
tree
2014-12-15
Ma
r
k Abraham
Remo
v
ing iteration + con
s
train
t
s framework
commit
|
commitdiff
|
tree
2014-12-15
Mark Abraha
m
Version bumps after new release
commit
|
commitdiff
|
tree
2014-12-15
Mark Abr
a
ham
Ve
r
sion 5
.
0
.
4
commit
|
commitdiff
|
tree
2014-12-15
Mark Abrah
a
m
Fix c
o
nstraints
c
hecks in
g
rompp
commit
|
commitdiff
|
tree
2014-12-11
Mark Abraham
M
e
rge
r
elease-4-6
i
nt
o
release-5-0
commit
|
commitdiff
|
tree
2014-12-09
Mark Abraham
Vers
i
o
n
bumps afte
r
n
ew release
commit
|
commitdiff
|
tree
2014-12-09
Mark Abraham
Vers
i
o
n 5
.
0
.
3
commit
|
commitdiff
|
tree
2014-12-05
Mark A
b
raham
Mo
v
e th
r
eading support in
t
o
listed-forces module
commit
|
commitdiff
|
tree
2014-11-27
Mark Abr
a
ham
C
on
v
ert rem
a
inin
g
callers of do_force to C++
commit
|
commitdiff
|
tree
2014-11-27
Mark Abraham
M
erge bran
c
h
release-4-6 into r
e
le
a
se-5-0
commit
|
commitdiff
|
tree
2014-11-26
Roland
S
chulz
M
e
rge relea
s
e-5-0 into
m
ast
e
r
commit
|
commitdiff
|
tree
2014-11-24
Ber
k
Hes
s
Avo
i
d
N
aN i
n
rlist
b
uffer
c
al
c
ulation
commit
|
commitdiff
|
tree
2014-11-17
Szilárd P
á
l
l
Allo
w
incr
e
as
i
ng CUDA
t
hread
b
lo
c
k si
z
e
commit
|
commitdiff
|
tree
2014-10-17
M
ark Ab
r
aham
E
xtend gmock to turn off
so
c
ket liste
n
er
commit
|
commitdiff
|
tree
2014-10-17
Mark
A
braham
M
ove code
t
o
what will becom
e
th
e
ewal
d
module
commit
|
commitdiff
|
tree
2014-10-15
Mark
A
braham
Con
v
erted many
i
nt
e
grato
r
-loop fil
e
s
t
o C++
commit
|
commitdiff
|
tree
2014-10-13
Mark Abr
a
ham
Merg
e
r
elease-4-6 in
t
o
relea
s
e-5-0
commit
|
commitdiff
|
tree
2014-10-09
Mark
A
braham
Fi
x
ed minor issue with NPT
c
o
nserved e
n
er
g
y
commit
|
commitdiff
|
tree
2014-10-09
M
a
r
k Abrah
a
m
Clean up cs
h
ake() and resolve old
i
s
sues
commit
|
commitdiff
|
tree
2014-10-06
Mark Abraham
Fix trjconv -spli
t
not closing files
commit
|
commitdiff
|
tree
2014-10-03
Mark A
b
rah
a
m
Un
i
te c
o
de for handli
n
g listed
pairs
commit
|
commitdiff
|
tree
2014-10-01
Mark Abraham
Merge rele
a
se-5
-
0 into master
commit
|
commitdiff
|
tree
2014-10-01
Mark Abraham
Ve
r
sio
n
bumps aft
e
r n
e
w relea
s
e
commit
|
commitdiff
|
tree
2014-10-01
Mark Abraham
V
er
s
ion 5
.
0
.
2
commit
|
commitdiff
|
tree
2014-10-01
Ca
r
sten Kutzner
Allo
w
gmx tune_pme to
skip the chec
k
for command
-
line
.
.
.
commit
|
commitdiff
|
tree
2014-09-23
Teemu Murtola
Reorgan
i
ze CPack mana
g
emen
t
commit
|
commitdiff
|
tree
2014-09-18
Erik Linda
h
l
Add Power/Powe
r
PC VMX SIMD su
p
p
ort
commit
|
commitdiff
|
tree
2014-09-18
Mark Abraha
m
Merge branch release-4-6 into releas
e
-5-0
commit
|
commitdiff
|
tree
2014-09-13
Mark Abraham
Teach git that some files are binary
commit
|
commitdiff
|
tree
2014-09-11
Mark Abr
a
ham
Remove documentation refer
e
nces
to optimize
-
f
f
t
commit
|
commitdiff
|
tree
2014-09-11
Mark
Abraham
Conver
t
domdec cod
e
to C++
commit
|
commitdiff
|
tree
2014-09-11
Te
e
mu Murtola
Move _GNU_S
O
UR
C
E to g
m
xpre
.
h
commit
|
commitdiff
|
tree
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