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Updates to documentation
2016-01-08
M
a
rk A
b
r
a
ham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-01-07
Mar
k
Abr
a
ham
Fix some mdr
u
n head
e
r d
e
p
e
ndencies
commit
|
commitdiff
|
tree
2016-01-07
Mark Abr
a
ham
Avoid more C
+
+ bi
n
dings for MPI
commit
|
commitdiff
|
tree
2016-01-07
Mark Abrah
a
m
Stop using UNDEFINED as name of
a
symbo
l
commit
|
commitdiff
|
tree
2016-01-07
M
a
rk Abra
h
am
Remove
f
ields used onl
y
for SD2
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Backpo
r
t md
-
vv fixes
commit
|
commitdiff
|
tree
2016-01-06
Mark
A
b
raham
F
ix spurious gcc warning
commit
|
commitdiff
|
tree
2015-12-29
B
erk Hess
Correct vecto
r
che
c
k
of gmx check
commit
|
commitdiff
|
tree
2015-12-29
Teem
u
Murtola
Pack
a
ging build sc
r
ipt f
o
r
web site
commit
|
commitdiff
|
tree
2015-12-28
Mark Abra
h
am
Merg
e
branch release-5-1
commit
|
commitdiff
|
tree
2015-12-27
Mark Abraha
m
Fix some Ope
n
C
L
issues
commit
|
commitdiff
|
tree
2015-12-27
Berk Hess
Reorganized do
m
dec i
n
i
t
ialization
commit
|
commitdiff
|
tree
2015-12-24
M
ark
A
b
raham
Shell
c
o
d
e cleanu
p
commit
|
commitdiff
|
tree
2015-12-24
Erik Lin
d
ahl
IB
M
P
o
wer6 VMX extended
S
IMD
commit
|
commitdiff
|
tree
2015-12-17
Mark Ab
r
aham
Simp
l
ifie
d
energy-
s
ummation code
commit
|
commitdiff
|
tree
2015-12-16
Berk
Hess
Add one e
l
ement
t
o s
t
a
t
e rvec a
r
r
a
ys
commit
|
commitdiff
|
tree
2015-12-15
Erik Lindahl
C++ math functi
o
n
c
lea
n
up
commit
|
commitdiff
|
tree
2015-12-15
T
eemu Murtola
Mov
e
ma
i
n
.
*,
s
plitter
.
*, g
m
x
_
omp_nt
h
reads
.
* to mdlib
commit
|
commitdiff
|
tree
2015-12-15
T
e
e
m
u Murtola
Move re
a
din
p
.
* and warninp
.
* t
o
f
i
l
e
io/
commit
|
commitdiff
|
tree
2015-12-15
Teemu Murtol
a
Move
h
ardwa
r
e
d
e
tectio
n
to
h
a
r
dware/
commit
|
commitdiff
|
tree
2015-12-15
Teemu Murtol
a
Move som
e
mdru
n
c
o
de out of
gmxlib/
commit
|
commitdiff
|
tree
2015-12-12
Teemu Murt
o
la
Move disre
.
*
and orir
e
s
.
* to listed-forces/
commit
|
commitdiff
|
tree
2015-12-12
Teemu Murtola
Mo
v
e p
u
t_atoms_in_box_om
p
()
t
o sim_
u
til
.
*
commit
|
commitdiff
|
tree
2015-12-12
T
ee
m
u Mur
t
ola
R
emove topology
-> fileio depen
d
e
n
cy
commit
|
commitdiff
|
tree
2015-12-10
Mark Ab
r
a
ham
M
e
r
ge branc
h
'origin/release-5-1'
commit
|
commitdiff
|
tree
2015-12-08
Mark Abrah
a
m
Me
r
ge bran
c
h 'release-5-0'
i
n
t
o
r
ele
a
se
-
5-1
commit
|
commitdiff
|
tree
2015-12-08
Ma
r
k
Abr
a
ham
F
ix Trotter i
n
tegration
commit
|
commitdiff
|
tree
2015-12-03
Mark
Abraham
Re
m
ove
mdru
n
-co
m
pact
commit
|
commitdiff
|
tree
2015-12-03
Teemu Murto
l
a
Move strd
b
.
* to utility/
commit
|
commitdiff
|
tree
2015-12-02
B
e
rk He
s
s
M
ade
t_inp
u
t
r
e
c const
i
n
P
ME load balancing
commit
|
commitdiff
|
tree
2015-12-02
Mark Abraham
Rem
o
v
e
twin-
r
ange schem
e
commit
|
commitdiff
|
tree
2015-11-30
Mark Abraham
Re
f
act
o
r hardware information
management
commit
|
commitdiff
|
tree
2015-11-25
E
lto
n
C
a
rval
h
o
R
otate Figur
e
8
.
2
in manual
.
commit
|
commitdiff
|
tree
2015-11-24
M
ark Abraham
F
i
x
error in multi
-
sim co
m
m
u
nic
a
tion
commit
|
commitdiff
|
tree
2015-11-23
Ma
r
k Abra
h
am
Upda
t
e
a
n
d expand pre
-
submit
c
ommit
matrix
commit
|
commitdiff
|
tree
2015-11-16
Mar
k
A
braham
R
em
o
v
e
t
_adress
commit
|
commitdiff
|
tree
2015-11-16
M
ark Abr
a
ham
R
emoved state_global from mdr
u
n
e
nergy-summ
a
tion
commit
|
commitdiff
|
tree
2015-11-16
Mark A
b
r
a
ham
M
erge
branch release-5-1
commit
|
commitdiff
|
tree
2015-11-15
Mark Abraham
Remo
v
e AdResS
commit
|
commitdiff
|
tree
2015-11-11
Mark Abraham
Merge release-5-0 in
t
o
r
elease-5-1
commit
|
commitdiff
|
tree
2015-11-10
Mar
k
Abraham
Bump patch v
e
rsion to prepare for 5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-04
Mark
Abraham
M
erge branch
r
e
l
ease-5-1
commit
|
commitdiff
|
tree
2015-11-04
M
ark Abr
a
h
a
m
Ev
e
n less moving from un
i
que_pt
r
commit
|
commitdiff
|
tree
2015-11-04
Mar
k
Abra
h
a
m
Ver
s
ion
5
.
1
.
1
commit
|
commitdiff
|
tree
2015-10-28
M
a
r
k
Ab
r
aham
Suppre
s
s warnings when we have OpenCL 2
.
0 sup
p
ort
commit
|
commitdiff
|
tree
2015-10-15
Szilárd
P
áll
Add CUDA nv
c
c >=7
.
0
s
upport
commit
|
commitdiff
|
tree
2015-10-14
Mark Abrah
a
m
Merge release-5-0 into
release-5-1
commit
|
commitdiff
|
tree
2015-10-14
Mark Abr
a
ham
Version bumps after
re
l
ease
commit
|
commitdiff
|
tree
2015-10-14
Mark A
b
raha
m
Si
m
pli
f
y
g
e
nconf
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraham
V
e
rsion
5
.
0
.
7
commit
|
commitdiff
|
tree
2015-10-13
M
a
r
k Abraham
Me
r
ge branch re
l
ease-4-6
into release-5-0
commit
|
commitdiff
|
tree
2015-10-13
E
r
ik
L
indah
l
Repl
a
c
e
GRO
M
ACS
-
s
p
ecific math functions with C+
+
11
.
.
.
commit
|
commitdiff
|
tree
2015-10-07
M
ark
A
b
raham
Merge branch release
-
5-1 in
t
o master
commit
|
commitdiff
|
tree
2015-10-07
Mark A
b
raham
Fixed FFTW
d
etection
status messag
e
location
commit
|
commitdiff
|
tree
2015-10-05
Mark Abrah
a
m
Me
r
ge release-
5
-0
i
nto release-5-1
commit
|
commitdiff
|
tree
2015-10-02
Mark Abraham
Temporari
l
y
t
est
on a
m
achine
with on
l
y two G
P
Us
commit
|
commitdiff
|
tree
2015-09-28
Mark Abraham
Eliminate use of typedefs
.
h in kernel C code
commit
|
commitdiff
|
tree
2015-09-26
Mark Abraham
Fix reaction-f
i
eld warning message
commit
|
commitdiff
|
tree
2015-09-22
T
e
emu Mu
r
t
o
la
Move
o
env
.
* to fileio/
commit
|
commitdiff
|
tree
2015-09-16
M
ark Abraham
Remove GMX_NOCHARGEGR
O
UPS
commit
|
commitdiff
|
tree
2015-09-16
Szi
l
ard
Pall
Fix
O
penCL build
commit
|
commitdiff
|
tree
2015-09-15
M
a
rk
Abrah
a
m
M
e
rge branch release-5-1
commit
|
commitdiff
|
tree
2015-09-10
David van der Spoel
Moved
c
o
n
t
ent
from mdru
n
.
h to sep
a
rate he
a
der
s
.
commit
|
commitdiff
|
tree
2015-09-08
Teemu Murtol
a
Reduce coupling between refdata
and libxml2
commit
|
commitdiff
|
tree
2015-09-03
Ma
r
k
Abr
a
ham
Ne
v
er operate on forc
e
array in
.
tpr
commit
|
commitdiff
|
tree
2015-09-01
T
ee
m
u Mur
t
ola
Build scrip
t
s fo
r
new releng
commit
|
commitdiff
|
tree
2015-08-29
T
e
emu Mu
r
tola
Remove
s
eparate title parame
t
er for read
_
tps_conf()
commit
|
commitdiff
|
tree
2015-08-19
Ma
r
k
A
braham
Harden FindSph
i
nx
.
cmake
commit
|
commitdiff
|
tree
2015-08-17
M
a
rk A
b
r
ah
a
m
Remove infrastructur
e
for gmx proto
n
ate
commit
|
commitdiff
|
tree
2015-08-14
Mark Abra
h
am
Merge b
r
an
c
h
release-5-1 into maste
r
commit
|
commitdiff
|
tree
2015-08-14
M
ark Abr
a
h
am
Bump patch
version to p
r
e
p
are fo
r
5
.
1
.
1
commit
|
commitdiff
|
tree
2015-08-14
Mark Abr
a
ha
m
V
er
s
i
o
n 5
.
1
commit
|
commitdiff
|
tree
2015-08-14
Berk Hes
s
Ma
k
e
mdrun -nt
w
ork again
commit
|
commitdiff
|
tree
2015-08-13
Mark Abr
a
h
a
m
Make i
t
easie
r
to find
s
election help
commit
|
commitdiff
|
tree
2015-08-12
Ma
r
k
Ab
r
aham
A
dd docume
n
tat
i
o
n fo
r
energygrps
with
G
P
U
s
commit
|
commitdiff
|
tree
2015-08-11
Mark Abr
a
h
am
Abort if
PME t
u
ning
i
s
acti
v
e
a
nd counters reset
commit
|
commitdiff
|
tree
2015-08-08
Mark Abraham
Merge branch release-5-0 into rel
e
a
se
-
5
-
1
commit
|
commitdiff
|
tree
2015-08-08
Mark Abraham
Fix
d
ocs
of
ftypes o
f
dihedrals
commit
|
commitdiff
|
tree
2015-08-04
M
ark
Abraham
Merge r
e
lease-5-0 into re
l
ea
s
e
-
5-1
commit
|
commitdiff
|
tree
2015-08-03
Mark Ab
r
ah
a
m
Fix possible linki
n
g
of libxml2 to
zlib
commit
|
commitdiff
|
tree
2015-07-26
M
ark Abraha
m
M
erge bran
c
h release-5-0 into rele
a
se-5-1
commit
|
commitdiff
|
tree
2015-07-26
Mark Abra
h
a
m
Version
b
umps
af
t
er new relea
s
e
commit
|
commitdiff
|
tree
2015-07-24
Mark
A
braham
M
e
rge
bra
n
ch
r
e
leas
e
-5-1
commit
|
commitdiff
|
tree
2015-07-24
Mar
k
Abraham
Version 5
.
0
.
6
commit
|
commitdiff
|
tree
2015-07-24
Teemu Murtola
Re
n
ame trnio ro
u
t
ine
s
commit
|
commitdiff
|
tree
2015-07-08
Erik
Lindahl
M
ove FFT defin
e
s to use
c
makedefine
0
1
commit
|
commitdiff
|
tree
2015-07-06
Mark Abraham
First
5
.
1 rel
e
ase c
a
ndidate
commit
|
commitdiff
|
tree
2015-07-06
B
e
rk Hess
F
i
x too small GPU pair count estimates
commit
|
commitdiff
|
tree
2015-07-06
Be
r
k H
e
ss
Fix bu
g
in GPU list balancing
commit
|
commitdiff
|
tree
2015-06-29
M
ark
A
braham
Merge b
r
anch releas
e
-5-0
commit
|
commitdiff
|
tree
2015-06-29
Mark Abra
h
am
D
o
c
umented
build types
i
n d
e
v
e
lo
p
er guide
commit
|
commitdiff
|
tree
2015-06-29
Mar
k
Abraham
M
e
r
g
e
release
-
4-6 in
t
o
rel
e
ase-
5
-0
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Fix all use of
nbnxn_simd
.
h
commit
|
commitdiff
|
tree
2015-06-27
Berk Hess
Improve pair search thread load balanc
e
commit
|
commitdiff
|
tree
2015-06-27
Ma
r
k
Abraham
Mer
g
e release-5-0 in
t
o maste
r
commit
|
commitdiff
|
tree
2015-06-26
Mark Abraha
m
Merge release-4-6 in
t
o rel
e
ase-5-
0
commit
|
commitdiff
|
tree
2015-06-25
Eri
k
Lindahl
Fix ed
r
a
p
pending
and exact continuation
commit
|
commitdiff
|
tree
2015-06-25
Erik Lin
d
ahl
Fix binary exa
c
t continuatio
n
for
t
ra
j
ectories
commit
|
commitdiff
|
tree
2015-06-25
Mar
k
Abraham
Merge relea
s
e-5-0 into master
commit
|
commitdiff
|
tree
2015-06-24
M
a
rk Abraham
Me
r
g
e release-4-6 into
r
elease-5-0
commit
|
commitdiff
|
tree
next