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Removed unnecessary static declarations for command-line parsing
2016-11-16
Mark
Abra
h
am
E
n
ha
n
ced A
r
rayRef
commit
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commitdiff
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tree
2016-11-16
Mark Abraham
Cre
a
ted padd
e
dvector
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
R
e
move unimp
l
emented gmx
trjcat -vel
commit
|
commitdiff
|
tree
2016-10-31
Mark Abraha
m
M
e
rge branch release-2016
commit
|
commitdiff
|
tree
2016-10-31
Mar
k
Abraham
Merg
e
br
a
nch
rele
a
se
-
2016
commit
|
commitdiff
|
tree
2016-10-28
M
a
rk Abraham
Bumped v
e
rsion to prepare
f
or next patch
release
commit
|
commitdiff
|
tree
2016-10-28
Ma
r
k Abraham
V
e
r
sion 2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mar
k
Abraham
Up
d
a
te install guide
commit
|
commitdiff
|
tree
2016-10-21
Ma
r
k
Abraham
Up
d
ate cppcheck
s
upport to
1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
Mar
k
Abraham
U
pg
r
ade coverage matrix
.
commit
|
commitdiff
|
tree
2016-10-18
Mark Ab
r
a
ham
Fix SIMD suggestion for
VMX
commit
|
commitdiff
|
tree
2016-10-12
Mar
k
A
braham
M
ake regressiontests updat
e
r
b
uild w
o
rk for m
a
ster
.
.
.
commit
|
commitdiff
|
tree
2016-10-11
Mar
k
Abraham
Update for FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-10
M
a
rk Abr
a
ham
Mer
g
e
"Merge
b
ranch re
l
ease
-
2
0
16"
commit
|
commitdiff
|
tree
2016-10-09
Mark Abraham
Merge branch r
e
lease-2016
commit
|
commitdiff
|
tree
2016-10-07
M
ar
k
A
b
ra
h
am
Add sc
r
ipt for Jenkins regressio
n
tes
t
upd
a
t
e
job
commit
|
commitdiff
|
tree
2016-10-03
M
ark Abraham
Merge branch
r
el
e
ase-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
R
e
p
l
ace use of depre
c
ated readdir_r
commit
|
commitdiff
|
tree
2016-09-12
Mark
Abrah
a
m
Preliminary
clean u
p
of NVML code
commit
|
commitdiff
|
tree
2016-09-08
Ma
r
k Abraham
M
erge
branch release-5-
1
into r
e
l
e
ase-20
1
6
commit
|
commitdiff
|
tree
2016-09-08
Ma
r
k Abrah
a
m
Bumped
pat
c
h number
to prepa
r
e
f
or future 5
.
1
.
5 release
commit
|
commitdiff
|
tree
2016-09-07
Mark A
b
raham
Version 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark
A
braham
Removed H
I
S1 from oplsaa and ch
a
r
m
m definit
i
o
n
s
commit
|
commitdiff
|
tree
2016-09-07
Mark A
b
rah
a
m
F
i
x LYN charges in
a
mber03
commit
|
commitdiff
|
tree
2016-09-07
M
ark Abraham
F
i
x amb
e
r
0
3 HIP charg
e
s
commit
|
commitdiff
|
tree
2016-09-06
M
ark Abraham
Wor
k
around glibc
2
.
23 with CUD
A
commit
|
commitdiff
|
tree
2016-08-27
M
ark
A
brah
a
m
S
t
op
using g
m
x_fatal in gromp
p
commit
|
commitdiff
|
tree
2016-08-24
Mark Abr
a
ham
Remo
v
e
hacks f
o
r ou
t
dated
Blue
G
ene support
commit
|
commitdiff
|
tree
2016-08-15
Mark Abr
a
ham
Mer
g
e branch release-
2
016
commit
|
commitdiff
|
tree
2016-08-15
Mark Abraham
Fix
e
s for BG/Q platform
files
and inst
a
ll guide
commit
|
commitdiff
|
tree
2016-08-12
Mark Ab
r
ah
a
m
Bump number to prepar
e
for first patch releas
e
commit
|
commitdiff
|
tree
2016-08-04
Mark Abraham
V
e
rsion 2016
commit
|
commitdiff
|
tree
2016-07-29
Mark
A
braham
Imp
r
ove
h
andling of
g
mock and gcc6
commit
|
commitdiff
|
tree
2016-07-29
Mark A
b
raham
Merge b
r
anch rel
e
ase-5-1 into r
e
le
a
se-201
6
commit
|
commitdiff
|
tree
2016-07-28
Mark Abra
h
am
Add toolchain fla
g
s
f
o
r
SSE2
compi
l
ation
commit
|
commitdiff
|
tree
2016-07-21
Mark Abrah
a
m
Bumped pat
c
h num
b
er to p
r
e
pare for
future 5
.
1
.
4 releas
e
commit
|
commitdiff
|
tree
2016-07-14
Mark Abraham
F
i
x issues with u
s
ing int for num
b
er of ste
p
s
commit
|
commitdiff
|
tree
2016-07-13
Ma
r
k
Abraham
Version 5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
Ma
r
k
A
braham
Merge b
r
anch release-2016
commit
|
commitdiff
|
tree
2016-07-12
Mark
A
br
a
ham
Fix trr magic number
r
e
a
ding
commit
|
commitdiff
|
tree
2016-07-11
M
ark Abraha
m
Fix
gmx md
r
un -membed -ntmpi -1
commit
|
commitdiff
|
tree
2016-07-11
Mark Abraham
Fix re
g
ressi
o
ntest download md
5
sum
commit
|
commitdiff
|
tree
2016-07-09
Mark Abraham
Firs
t
2
0
16
release candidate
commit
|
commitdiff
|
tree
2016-07-08
M
ark Abraham
Merge bra
n
ch rele
a
se-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-07-08
Mark Abraham
Simplify SIM
D
compi
l
er f
l
ag constru
c
tio
n
commit
|
commitdiff
|
tree
2016-07-07
Ma
r
k Abraham
Move co
n
sistenc
y
c
heck
f
or numb
e
r of threads
commit
|
commitdiff
|
tree
2016-07-07
Mark Abraha
m
Fix build
if l
i
bcuda is found but nvcc is not
commit
|
commitdiff
|
tree
2016-07-04
Mark Abraham
Fixe
s
for Power7 big-endian
commit
|
commitdiff
|
tree
2016-07-01
Mark Ab
r
aha
m
Fix use o
f
_POSIX_THREAD*
commit
|
commitdiff
|
tree
2016-06-30
Mark Abraham
Merge branch rele
a
se-5
-
1 into release-2016
commit
|
commitdiff
|
tree
2016-06-29
Mark Abraham
Refactor sy
s
c
o
n
f
c
hec
k
ing
commit
|
commitdiff
|
tree
2016-06-29
Mar
k
Abraham
Wo
r
k a
r
ound glibc 2
.
23 wi
t
h C
U
DA
commit
|
commitdiff
|
tree
2016-06-28
M
ark Abraham
U
pd
a
te to include a gcc 6
.
1 conf
i
guratio
n
commit
|
commitdiff
|
tree
2016-06-28
Mar
k
A
braham
F
ix SIM
D
co
n
figurati
o
n managemen
t
commit
|
commitdiff
|
tree
2016-06-27
Mark Abra
h
am
Remo
v
e
d unnecessary inter-simulatio
n
sign
a
llin
g
commit
|
commitdiff
|
tree
2016-06-27
Mark Abraham
Merge branch r
e
l
e
a
s
e-
5
-
1
i
nt
o
release-201
6
commit
|
commitdiff
|
tree
2016-06-23
Mark Abraham
Merge bran
c
h rel
e
ase
-
20
1
6
commit
|
commitdiff
|
tree
2016-06-23
M
a
rk Abrah
a
m
Allow us
e
of exte
r
nal lmfi
t
package
commit
|
commitdiff
|
tree
2016-06-23
Mark Abraham
Pre
v
ent use of md
r
un -m
a
xh -multi
commit
|
commitdiff
|
tree
2016-06-22
Mark Abraham
Fi
x
conf
i
guration-time
c
puinfo code
commit
|
commitdiff
|
tree
2016-06-22
Mark Abraham
Mer
g
e bran
c
h r
e
l
ease-5-
1
i
n
to relea
s
e-
2
0
1
6
commit
|
commitdiff
|
tree
2016-06-22
M
a
rk Abraham
Adjust and document C++1
1
compiler
t
e
sts
commit
|
commitdiff
|
tree
2016-06-20
Mark Ab
r
aham
Update
p
re-
s
ubmit matr
i
x c
o
ntents
commit
|
commitdiff
|
tree
2016-06-19
Mark Ab
r
ah
a
m
Improve docs for link
i
ng stdlibc+
+
needed by icc
commit
|
commitdiff
|
tree
2016-06-17
Mark A
b
raham
M
e
rge branch
re
l
ease-5-1 into release
-
2016
commit
|
commitdiff
|
tree
2016-06-17
Mark Abraham
Fix multi-sim +
D
D + simple di
s
tance rest
r
a
i
nts
commit
|
commitdiff
|
tree
2016-06-10
M
ark Abra
h
am
Find python for
do
c
s bu
i
ld quietly
commit
|
commitdiff
|
tree
2016-06-08
Mark Abraham
Mer
g
e br
a
nc
h
release-5-1
i
nto r
e
l
ease-2016
commit
|
commitdiff
|
tree
2016-06-07
Mark Ab
r
aham
R
e-add support for li
n
king against
e
xte
r
nal TinyXML-2
commit
|
commitdiff
|
tree
2016-06-07
Mark
A
b
r
a
h
am
Updates to documentation
commit
|
commitdiff
|
tree
2016-06-02
M
ark A
b
rah
a
m
Fi
x
c
omp
a
ti
b
ility
wit
h
ol
d
er CMake
commit
|
commitdiff
|
tree
2016-06-02
Mar
k
Abraham
M
ake more CMake variab
l
es advanced
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraham
Ig
n
ore std
e
rr when detecting SIMD
a
nd bu
i
ld i
n
fo
commit
|
commitdiff
|
tree
2016-05-31
Mark Abraham
Fix re
f
ere
n
ce to
v
mdio
.
c to be vmdio
.
cpp
commit
|
commitdiff
|
tree
2016-05-31
Ma
r
k Abraham
Second 20
1
6
beta
r
elease
commit
|
commitdiff
|
tree
2016-05-29
Mark Abrah
a
m
Simp
l
ified
a
nd updat
e
d
OpenCL compilat
i
on
commit
|
commitdiff
|
tree
2016-05-27
Mar
k
Abraham
Fix r
e
ading of
b
onded tables
commit
|
commitdiff
|
tree
2016-05-26
Mark Abraham
New quote
commit
|
commitdiff
|
tree
2016-05-26
Mark Abraham
M
e
rge
b
ranch r
e
l
e
ase-2016
commit
|
commitdiff
|
tree
2016-05-12
Mark Abraham
Me
r
ge branch
release-5-1 into releas
e
-2016
commit
|
commitdiff
|
tree
2016-05-12
Mark Abraham
G
ROMAC
S
2
0
16 beta1 release
commit
|
commitdiff
|
tree
2016-05-10
Mar
k
Abraham
Bump clang
s
tatic analyzer
t
o
version 3
.
8
commit
|
commitdiff
|
tree
2016-05-10
Mark Abra
h
am
M
i
nor update to
s
p
hinx dep
e
ndency
commit
|
commitdiff
|
tree
2016-05-10
Ma
r
k
Abraham
F
a
cilita
t
e link
i
ng with
libc
x
x
commit
|
commitdiff
|
tree
2016-05-08
Mark
A
b
r
a
h
a
m
Fi
x
es f
o
r clang 3
.
7 on PowerPC
commit
|
commitdiff
|
tree
2016-05-08
M
a
r
k
Abraham
Fix const
a
nts
,
units and
conversion factors
commit
|
commitdiff
|
tree
2016-04-27
Mar
k
Abrah
a
m
Me
r
ge br
a
n
c
h re
l
ease-5-1
commit
|
commitdiff
|
tree
2016-04-19
M
a
rk
Abr
a
ham
R
epl
a
ce
libxml2 with tinyxml2 for use i
n
test code
commit
|
commitdiff
|
tree
2016-04-19
Mark Abra
h
am
Fix parse_di
g
its_from_str
i
ng
commit
|
commitdiff
|
tree
2016-04-19
Ma
r
k Abra
h
a
m
Fix mdp l
a
bel generation
commit
|
commitdiff
|
tree
2016-04-18
Mark Abraham
Reduce comp
i
lation coupling of SIMD module
commit
|
commitdiff
|
tree
2016-04-14
Ma
r
k A
b
raham
Merge b
r
anch re
l
ease-5
-
1
commit
|
commitdiff
|
tree
2016-04-01
Mark Abraham
Reve
r
t to treating -1 as "
g
ener
a
t
e a seed
"
in
.
mdp
commit
|
commitdiff
|
tree
2016-03-31
Mar
k
Abraham
Add t
e
st and
impro
v
ed d
o
cs for cust
o
m ch
e
ckSeq
u
ence
commit
|
commitdiff
|
tree
2016-03-30
Ma
r
k Ab
r
aham
Cl
e
an up v
s
ite code
commit
|
commitdiff
|
tree
2016-03-19
Mar
k
A
b
raham
Add
mor
e
c
onst correctness
commit
|
commitdiff
|
tree
2016-03-19
Mark Abraham
Fix w
a
rning
from
GCC 6
commit
|
commitdiff
|
tree
2016-03-19
Mar
k
Abraham
Impro
v
ed some mdrun in
t
egration tests
commit
|
commitdiff
|
tree
2016-03-18
Mark Abraham
Warn
about Ope
n
MPI 1
.
8
.
6
commit
|
commitdiff
|
tree
2016-03-18
Mark
A
braham
F
i
x typo in Fourier
dihedral
e
quation
commit
|
commitdiff
|
tree
next