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Fix membed with partial revert of 29943f
2016-07-11
M
ark
Abr
a
ham
Fi
x
r
egress
i
on
t
e
s
t
d
o
w
nload
m
d5
s
um
commit
|
commitdiff
|
tree
2016-07-09
Mar
k
Abraham
First 2016 release candidate
commit
|
commitdiff
|
tree
2016-07-08
Mar
k
Abraham
Merge branc
h
releas
e
-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-07-08
M
a
rk Abraham
Simpl
i
f
y SIMD compiler flag constr
u
ction
commit
|
commitdiff
|
tree
2016-07-07
Mark Abraham
Move
consistency
check for n
u
mber
of
threads
commit
|
commitdiff
|
tree
2016-07-07
Mark
A
b
rah
a
m
Fix
build if
l
ibcuda
i
s found but nv
c
c is not
commit
|
commitdiff
|
tree
2016-07-04
M
ar
k
Ab
r
aham
Fixes
f
o
r
P
ower7 b
i
g-endian
commit
|
commitdiff
|
tree
2016-07-01
Mark Abraham
Fix use
of _POSIX_THREA
D
*
commit
|
commitdiff
|
tree
2016-06-30
Mark Abraham
M
e
rge br
a
nch releas
e
-
5-
1
in
t
o r
e
leas
e
-2
0
16
commit
|
commitdiff
|
tree
2016-06-29
M
ar
k
A
b
raha
m
Ref
a
cto
r
sysconf che
c
king
commit
|
commitdiff
|
tree
2016-06-29
Mark Abrah
a
m
Work around glibc 2
.
23 with C
U
DA
commit
|
commitdiff
|
tree
2016-06-28
Mark Abraham
Up
d
ate
t
o
include
a
gcc
6
.
1
c
onfigur
a
tion
commit
|
commitdiff
|
tree
2016-06-28
Mark Abraham
F
ix SIMD con
f
i
g
u
r
a
t
ion managemen
t
commit
|
commitdiff
|
tree
2016-06-27
Mark
A
braham
Re
m
o
ved unnecessar
y
inter
-
si
m
u
l
ati
o
n sign
a
l
l
ing
commit
|
commitdiff
|
tree
2016-06-27
M
a
rk Abraham
Merge
b
ranch r
e
lea
s
e-5-1 into
re
l
ease-2016
commit
|
commitdiff
|
tree
2016-06-23
Mark Abraham
Allow use
o
f external lmfit pac
k
age
commit
|
commitdiff
|
tree
2016-06-23
Mark Abraham
Prevent use of mdrun -maxh -
m
u
l
ti
commit
|
commitdiff
|
tree
2016-06-22
Ma
r
k Abraham
F
ix confi
g
urati
o
n-time cp
u
info code
commit
|
commitdiff
|
tree
2016-06-22
M
ark Abraham
Me
r
g
e
b
r
anc
h
r
e
l
e
ase
-
5-1 i
n
to release-2016
commit
|
commitdiff
|
tree
2016-06-22
M
a
rk
A
braham
Adjus
t
and docum
e
nt C
+
+11 compiler
tests
commit
|
commitdiff
|
tree
2016-06-20
Mark Abra
h
am
Updat
e
p
r
e-submit matrix c
o
ntents
commit
|
commitdiff
|
tree
2016-06-19
Mark A
b
raham
Improve docs
f
o
r
linking st
d
libc+
+
n
eeded by icc
commit
|
commitdiff
|
tree
2016-06-17
Mark Abraha
m
Merge branch re
l
eas
e
-5-1 i
n
to re
l
e
a
s
e
-2016
commit
|
commitdiff
|
tree
2016-06-17
Mark
A
braham
Fix multi-sim + DD + si
m
ple
dis
t
ance res
t
r
aints
commit
|
commitdiff
|
tree
2016-06-10
Mark Abraham
Find p
y
thon for docs bu
i
ld quietly
commit
|
commitdiff
|
tree
2016-06-08
Mark
Abraham
Merge
b
ranch re
l
ease-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-06-07
Mark Abraham
Re-add sup
p
o
r
t for linking against exter
n
al T
i
nyXML-2
commit
|
commitdiff
|
tree
2016-06-07
M
a
rk
A
braham
Updates to documentation
commit
|
commitdiff
|
tree
2016-06-02
M
a
rk
A
braham
Fix compatibility
wi
t
h old
e
r CMake
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraham
Make more
C
Ma
k
e variable
s
advanced
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraham
Igno
r
e
s
tderr when
d
e
t
ectin
g
SIMD an
d
build in
f
o
commit
|
commitdiff
|
tree
2016-05-31
M
a
rk A
b
ra
h
am
Fix reference to vmdio
.
c to be vmdio
.
c
p
p
commit
|
commitdiff
|
tree
2016-05-31
Mar
k
Ab
r
aham
Seco
n
d 2016 beta r
e
le
a
se
commit
|
commitdiff
|
tree
2016-05-29
Mark Abraham
Simplified and u
p
dated
O
p
enC
L
c
ompilation
commit
|
commitdiff
|
tree
2016-05-27
M
ark A
b
raham
Fix r
e
ading of bonded ta
b
l
es
commit
|
commitdiff
|
tree
2016-05-26
Ma
r
k
Abraha
m
N
ew quote
commit
|
commitdiff
|
tree
2016-05-12
Mark Abraha
m
Merg
e
b
ranch r
e
lease
-
5-
1
into re
l
e
a
se
-
20
1
6
commit
|
commitdiff
|
tree
2016-05-12
Mark
A
braham
GROMACS 2016 beta1 r
e
lease
commit
|
commitdiff
|
tree
2016-05-10
M
a
rk Abr
a
ham
Bump clang
sta
t
ic analyzer to
version 3
.
8
commit
|
commitdiff
|
tree
2016-05-10
Mar
k
A
b
r
aham
Minor u
p
d
a
te to sphinx
dependency
commit
|
commitdiff
|
tree
2016-05-10
Mark Abraham
F
acilita
t
e li
n
ki
n
g w
i
th
libcxx
commit
|
commitdiff
|
tree
2016-05-08
Mark Ab
r
aham
F
ixes for cl
a
n
g 3
.
7 on Power
P
C
commit
|
commitdiff
|
tree
2016-05-08
Mark Abraham
Fix c
o
nsta
n
ts, units and conversion factors
commit
|
commitdiff
|
tree
2016-04-27
M
a
r
k
Ab
r
aham
M
e
rg
e
branch rel
e
ase-5
-
1
commit
|
commitdiff
|
tree
2016-04-19
Mar
k
Ab
r
a
h
a
m
Re
p
lace libx
m
l2
with
tinyxml2 for use in te
s
t code
commit
|
commitdiff
|
tree
2016-04-19
Mar
k
Abraham
Fix parse_digits_from
_
string
commit
|
commitdiff
|
tree
2016-04-19
M
ark Abraham
Fix
mdp label genera
t
io
n
commit
|
commitdiff
|
tree
2016-04-18
Mark
Abraham
Red
u
c
e com
p
il
a
t
ion coupling o
f
SIMD module
commit
|
commitdiff
|
tree
2016-04-14
Mark Abraham
M
erge
b
ranch release-5-1
commit
|
commitdiff
|
tree
2016-04-01
M
ar
k
Ab
r
aham
Revert to t
r
ea
t
ing -1 as "generate
a
seed" in
.
mdp
commit
|
commitdiff
|
tree
2016-03-31
Mark Abraham
Add
test and improved doc
s
f
or c
u
s
t
om
checkSequence
commit
|
commitdiff
|
tree
2016-03-30
M
a
r
k
A
b
raham
Clean up vsite code
commit
|
commitdiff
|
tree
2016-03-19
M
a
rk Abr
a
h
am
Add mor
e
const correctn
e
ss
commit
|
commitdiff
|
tree
2016-03-19
Mark Abraham
Fix warni
n
g from GCC 6
commit
|
commitdiff
|
tree
2016-03-19
M
ark Abraham
Improved some
mdrun integration
test
s
commit
|
commitdiff
|
tree
2016-03-18
Mark Abraham
Warn about
O
penM
P
I
1
.
8
.
6
commit
|
commitdiff
|
tree
2016-03-18
Mark Abra
h
am
Fix t
y
p
o
in Fourier dihedral
equation
commit
|
commitdiff
|
tree
2016-03-15
Mark Abra
h
am
Merge br
a
nch release-5-0
i
nto relea
s
e-5-1
commit
|
commitdiff
|
tree
2016-03-12
Mark
A
braham
U
p
date u
s
e of isnan in
l
i
n
e
a
ral
g
ebra
commit
|
commitdiff
|
tree
2016-03-12
Mark
A
b
rah
a
m
Find
h
wloc
quietly if
i
t's alre
a
dy
b
een found
commit
|
commitdiff
|
tree
2016-03-11
Mar
k
Abraham
Add infra
s
tructu
r
e for
t
ests to
compar
e
m
d
runs
commit
|
commitdiff
|
tree
2016-03-11
M
ark A
b
r
ah
a
m
Merge branch r
e
leas
e
-5-0 into release-5-1
commit
|
commitdiff
|
tree
2016-03-10
Mark Abraham
Require 2015 versi
o
n for MSVC
commit
|
commitdiff
|
tree
2016-03-05
M
ark Abraham
Add SET
T
LE uni
t
tests
commit
|
commitdiff
|
tree
2016-02-26
Mark
A
b
ra
h
a
m
Separate
d
test of C
D
A
T
A end tag handling f
r
om oth
e
rs
commit
|
commitdiff
|
tree
2016-02-23
Mark
A
braham
R
e
place cppch
e
ck su
p
pr
e
ssion in chec
k
poin
t
code
commit
|
commitdiff
|
tree
2016-02-22
Mark A
b
raham
Mov
e
init of sp
e
cialize
d
dy
n
amical algorithms to
d
o_md
commit
|
commitdiff
|
tree
2016-02-21
Ma
r
k Abra
h
a
m
Se
p
ara
t
e tab
l
e
constructi
o
n
commit
|
commitdiff
|
tree
2016-02-19
Mark Abraham
Merge
b
ranch release-5-
1
commit
|
commitdiff
|
tree
2016-02-19
Mark Abra
h
am
Make both
f
tp and
h
t
tp li
n
ks
for source download
commit
|
commitdiff
|
tree
2016-02-18
Mark Abrah
a
m
Updated reference
manual te
x
t a
b
out PME tu
n
ing
commit
|
commitdiff
|
tree
2016-02-16
M
a
rk
A
braham
Merge
b
ran
c
h r
e
leas
e
-5-0
i
nto releas
e
-
5-1
commit
|
commitdiff
|
tree
2016-02-14
M
a
rk
Abraham
Re-generated eps for figure
4
.
8
commit
|
commitdiff
|
tree
2016-02-10
Mark Ab
r
aham
Re-remove *_
s
t
ochd_state funct
i
on declarati
o
ns
commit
|
commitdiff
|
tree
2016-02-10
Mark Abraha
m
Imp
r
ov
e
d
u
pdat
e
_co
o
rds handling of xprime
commit
|
commitdiff
|
tree
2016-02-10
Mark Abra
h
a
m
Fix issues
t
o upda
t
e cppcheck s
u
pport to 1
.
7
2
commit
|
commitdiff
|
tree
2016-02-08
Mark Ab
r
aham
Merge bra
n
c
h release-5-
0
i
n
to release-5-
1
commit
|
commitdiff
|
tree
2016-02-06
Mark Abraham
Me
r
ge
br
a
nch release
-
5-
1
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
Bumped
patch number to pre
p
a
r
e for
future
5
.
1
.
3 relea
s
e
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
Version 5
.
1
.
2
commit
|
commitdiff
|
tree
2016-02-03
M
a
rk Abr
a
ham
Fix
grompp not w
a
rnin
g
when
.
mdp val
u
es
hav
e
wrong
.
.
.
commit
|
commitdiff
|
tree
2016-02-03
M
ark A
b
raha
m
Merg
e
relea
s
e-5
-
0 into releas
e
-5-1
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
Fix dEkin/d
l
handling wit
h
m
ultip
l
e ranks
commit
|
commitdiff
|
tree
2016-01-28
Mark A
b
rah
a
m
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-01-28
Mar
k
Abraham
Fix u
s
e o
f
__APP
L
E
_
_
in OpenC
L
code
commit
|
commitdiff
|
tree
2016-01-28
M
a
rk Abraham
Add OpenC
L
source
f
ile types to copyright checker
commit
|
commitdiff
|
tree
2016-01-28
Mark Abraham
Av
o
id FP e
x
ception
commit
|
commitdiff
|
tree
2016-01-27
Mark Abraham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-01-27
Mar
k
Abraha
m
R
emove bNotLastFr
a
me
commit
|
commitdiff
|
tree
2016-01-27
Mark Abraham
Add suggestions for updat
i
ng
b
inutils
commit
|
commitdiff
|
tree
2016-01-26
Mark Abraham
Fix
d
efault
f
or GMX_US
E
_NVM
L
commit
|
commitdiff
|
tree
2016-01-25
Mark
A
br
a
ham
Merge branch r
e
l
e
ase-5
-
1
commit
|
commitdiff
|
tree
2016-01-24
Mark
A
braham
Fix
duplicate LaTeX equation label
commit
|
commitdiff
|
tree
2016-01-24
M
ark Abraham
Update ref
e
r
ences to HTM
L
an
d
onl
i
ne doc
u
m
e
ntation
commit
|
commitdiff
|
tree
2016-01-14
Mar
k
Abraham
Permit customize
d
test
i
n
g of
g
rompp an
d
mdr
u
n
commit
|
commitdiff
|
tree
2016-01-13
Mark
Abraham
A
l
lowed NVM
L
support to
be toggled
commit
|
commitdiff
|
tree
2016-01-12
Mark
A
braham
Merge branch relea
s
e-5-0 into relea
s
e
-
5
-1
commit
|
commitdiff
|
tree
2016-01-11
Mark Abraham
Improved update_coords
commit
|
commitdiff
|
tree
2016-01-08
M
a
rk
A
b
raham
Improve tpr he
a
der version
handling
commit
|
commitdiff
|
tree
2016-01-08
Mar
k
A
b
raham
Merge branch r
e
l
ease-
5
-1
commit
|
commitdiff
|
tree
next