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Consolidate files supporting TNG file I/O
2016-12-08
Mark Abraha
m
C
o
nsolidat
e
files support
i
ng TNG
file I/O
commit
|
commitdiff
|
tree
2016-12-07
M
a
rk Abraha
m
Merge branc
h
release-20
1
6
commit
|
commitdiff
|
tree
2016-12-07
M
a
rk
A
bra
h
am
Fix memory
h
andling
i
n
g
mx dump of TNG files
commit
|
commitdiff
|
tree
2016-12-05
Mark
Abraham
Remove undue narrowing of integer in TNG reading
commit
|
commitdiff
|
tree
2016-12-01
Mark Abra
h
am
Add INSTAL
L
-
d
ev
to aid pe
o
p
l
e
d
oing unus
u
al build
s
commit
|
commitdiff
|
tree
2016-12-01
M
ark Abrah
a
m
F
i
x minor trjconv b
u
g
commit
|
commitdiff
|
tree
2016-11-23
M
a
rk Abr
a
ham
Sto
p
including t
n
g_
i
o_fw
d
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
Enhanced
Arr
a
yRef
commit
|
commitdiff
|
tree
2016-11-16
Mark
A
braham
Cre
a
t
ed paddedvector
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark
A
bra
h
am
Remove uni
m
plemented gmx trjcat -vel
commit
|
commitdiff
|
tree
2016-10-31
Mark Abraham
Me
r
ge bra
n
ch re
l
ease-2016
commit
|
commitdiff
|
tree
2016-10-31
Mark Ab
r
aham
Merg
e
br
a
nch release-2016
commit
|
commitdiff
|
tree
2016-10-28
Mark Abraha
m
Bumped version to prepare
f
or next pa
t
ch rel
e
ase
commit
|
commitdiff
|
tree
2016-10-28
M
a
rk A
b
ra
h
am
Ve
r
s
ion 2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mark Abraham
Update install guide
commit
|
commitdiff
|
tree
2016-10-21
Mark Abraham
Update cppcheck support to 1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
Mark Abraham
U
pgrad
e
co
v
era
g
e matrix
.
commit
|
commitdiff
|
tree
2016-10-18
Mark Abr
a
ham
Fix
SIMD suggestion
for VMX
commit
|
commitdiff
|
tree
2016-10-12
Mark
A
braha
m
Ma
k
e regressiontests updater b
u
ild w
o
rk for ma
s
ter
.
.
.
commit
|
commitdiff
|
tree
2016-10-11
Mark Abraham
Update for
FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-10
M
ark
Abrah
a
m
M
e
rge "Merge
b
ra
n
ch rel
e
as
e
-2016"
commit
|
commitdiff
|
tree
2016-10-09
Mark Abraham
Merge branch re
l
eas
e
-
2016
commit
|
commitdiff
|
tree
2016-10-07
Mark Abraham
Add sc
r
ipt for
Je
n
kins
r
egressiontest up
d
ate job
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
Me
r
ge branch rel
e
ase-
5
-1 into
r
ele
a
s
e
-
20
1
6
commit
|
commitdiff
|
tree
2016-10-03
Mark A
b
r
a
ham
Replace u
s
e of
d
e
p
r
ecated
r
eaddir_
r
commit
|
commitdiff
|
tree
2016-09-12
Ma
r
k Abra
h
am
Preli
m
in
a
ry clean up
of NVML code
commit
|
commitdiff
|
tree
2016-09-08
Mark Abra
h
am
M
erge
branch rele
a
se
-
5
-
1 in
t
o release-2016
commit
|
commitdiff
|
tree
2016-09-08
Mark Abraham
Bumped patch
n
umber to prepare for future 5
.
1
.
5 re
l
ease
commit
|
commitdiff
|
tree
2016-09-07
M
a
r
k
Ab
r
aham
Version 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Removed HI
S
1 f
r
om oplsaa a
n
d charmm defini
t
ions
commit
|
commitdiff
|
tree
2016-09-07
Mark Ab
r
aham
Fi
x
LYN c
h
arges in
a
mber03
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
F
i
x amber03 HIP charges
commit
|
commitdiff
|
tree
2016-09-06
Mar
k
A
braha
m
Work around gl
i
bc 2
.
23
w
ith CUDA
commit
|
commitdiff
|
tree
2016-08-27
M
ark Abraham
Stop using
gmx_fatal in grompp
commit
|
commitdiff
|
tree
2016-08-24
M
ark
A
bra
h
am
Remove h
a
cks for
o
u
tda
t
ed BlueGene
suppor
t
commit
|
commitdiff
|
tree
2016-08-15
Mark Abra
h
am
M
e
rg
e
bran
c
h release-2016
commit
|
commitdiff
|
tree
2016-08-15
Mark Abraham
Fixes for BG/Q platform files and install
g
ui
d
e
commit
|
commitdiff
|
tree
2016-08-12
Mark Abraham
Bump
n
umber to prepare
f
or first pa
t
c
h
rel
e
a
s
e
commit
|
commitdiff
|
tree
2016-08-04
Mark Abraham
Version 2016
commit
|
commitdiff
|
tree
2016-07-29
Mark A
b
r
a
ham
Imp
r
ove handling of gmock and gcc6
commit
|
commitdiff
|
tree
2016-07-29
Mark Ab
r
a
h
am
Merge branch release-5-1 int
o
release-2016
commit
|
commitdiff
|
tree
2016-07-28
Mark
A
b
r
ah
a
m
Add to
o
lchain
flags for SSE2
c
omp
i
lation
commit
|
commitdiff
|
tree
2016-07-21
Ma
r
k Abraham
Bumped patch number to prepare fo
r
fut
u
re 5
.
1
.
4 release
commit
|
commitdiff
|
tree
2016-07-14
Mark Abraham
Fix is
s
ues with using int fo
r
numbe
r
of steps
commit
|
commitdiff
|
tree
2016-07-13
Mark Abr
a
ha
m
V
er
s
i
o
n
5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
Mark Abraham
Merge
branch release-2016
commit
|
commitdiff
|
tree
2016-07-12
Mark Abr
a
ham
F
ix trr m
a
gic
n
u
mber reading
commit
|
commitdiff
|
tree
2016-07-11
Ma
r
k
A
braham
Fix gmx md
r
un -membed
-
ntmpi -
1
commit
|
commitdiff
|
tree
2016-07-11
Mark Abraham
Fix regressiont
e
st download
m
d
5
su
m
commit
|
commitdiff
|
tree
2016-07-09
Mark Abraham
First 2016
release candidate
commit
|
commitdiff
|
tree
2016-07-08
Mark Abra
h
am
Merge branch release-5
-
1
i
nto release-
2
0
16
commit
|
commitdiff
|
tree
2016-07-08
Mark Abraham
Simplif
y
SIMD compiler flag const
r
uct
i
on
commit
|
commitdiff
|
tree
2016-07-07
Mark
A
braham
M
ove
consisten
c
y che
c
k for nu
m
ber of
t
hreads
commit
|
commitdiff
|
tree
2016-07-07
M
a
rk
A
brah
a
m
Fix build if libcuda
i
s found b
u
t nvcc
i
s no
t
commit
|
commitdiff
|
tree
2016-07-04
M
a
r
k Abraham
Fixes for Pow
e
r7 b
i
g-e
n
di
a
n
commit
|
commitdiff
|
tree
2016-07-01
Mark
A
braha
m
F
i
x use of
_
P
OSIX_THRE
A
D*
commit
|
commitdiff
|
tree
2016-06-30
Mark Abrah
a
m
Merge bran
c
h release-5
-
1
into r
e
lea
s
e-201
6
commit
|
commitdiff
|
tree
2016-06-29
Mark
A
braham
Re
f
acto
r
sysconf checking
commit
|
commitdiff
|
tree
2016-06-29
M
ark
Abra
h
am
Work around glibc 2
.
23 with CUDA
commit
|
commitdiff
|
tree
2016-06-28
M
ark Abra
h
am
Update to include
a gcc 6
.
1
c
onfigurati
o
n
commit
|
commitdiff
|
tree
2016-06-28
M
ark Ab
r
aham
Fix S
I
MD config
u
ration management
commit
|
commitdiff
|
tree
2016-06-27
Ma
r
k
A
bra
h
a
m
Re
m
oved unn
e
cessary inter-simulation signa
l
l
i
ng
commit
|
commitdiff
|
tree
2016-06-27
Mark Ab
r
a
h
am
Me
r
ge branch
r
ele
a
s
e
-5-1 into relea
s
e-
2
016
commit
|
commitdiff
|
tree
2016-06-23
M
ark Abraham
Merge branch
r
elease-2016
commit
|
commitdiff
|
tree
2016-06-23
Mark
Abr
a
ham
A
llow use of exter
n
a
l
l
m
fi
t
pack
a
ge
commit
|
commitdiff
|
tree
2016-06-23
Mark Abraham
Prevent use o
f
mdrun
-
maxh -multi
commit
|
commitdiff
|
tree
2016-06-22
Mark Abraham
Fix configuration-time cpuinfo code
commit
|
commitdiff
|
tree
2016-06-22
Mark
Abrah
a
m
Merge br
a
nch r
e
lease-5-1 int
o
release-201
6
commit
|
commitdiff
|
tree
2016-06-22
Mark
A
braham
Adjust and d
o
c
u
m
ent C++11 comp
i
le
r
tests
commit
|
commitdiff
|
tree
2016-06-20
Mark Abra
h
am
Up
d
ate pre
-
s
u
b
m
it matrix contents
commit
|
commitdiff
|
tree
2016-06-19
Mark Abraham
Im
p
rove d
o
c
s
f
o
r linking stdlibc++ needed by
i
cc
commit
|
commitdiff
|
tree
2016-06-17
Mark Abraham
Merge branch relea
s
e
-5-1 into re
l
ease-2016
commit
|
commitdiff
|
tree
2016-06-17
M
ark Abraham
F
i
x m
u
l
ti-s
i
m +
D
D +
simple dist
a
nc
e
r
e
s
traints
commit
|
commitdiff
|
tree
2016-06-10
Mark A
b
r
aha
m
Find
python fo
r
docs b
u
il
d
qui
e
tly
commit
|
commitdiff
|
tree
2016-06-08
M
ark
A
br
a
ha
m
Me
r
ge b
r
a
n
c
h release-
5
-1 into
release-2016
commit
|
commitdiff
|
tree
2016-06-07
M
a
rk Abraham
Re
-
ad
d
support fo
r
linking against external
T
iny
X
M
L
-2
commit
|
commitdiff
|
tree
2016-06-07
M
ark Abraham
Updates to
doc
u
mentation
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraham
F
ix
compa
t
i
bility with
olde
r
CMak
e
commit
|
commitdiff
|
tree
2016-06-02
M
a
r
k Ab
r
a
h
a
m
Make more CMake variables
a
dvanced
commit
|
commitdiff
|
tree
2016-06-02
Mark
A
b
r
aham
I
gnore
stderr wh
e
n detect
i
ng S
I
MD
and build info
commit
|
commitdiff
|
tree
2016-05-31
M
ark
Abr
a
ham
Fix reference to vmdio
.
c to
b
e vmdio
.
c
pp
commit
|
commitdiff
|
tree
2016-05-31
M
ark Abra
h
am
Second 2016 be
t
a
rel
e
ase
commit
|
commitdiff
|
tree
2016-05-29
Ma
r
k Abraham
Simplifi
e
d
a
n
d updat
e
d Ope
n
CL compilati
o
n
commit
|
commitdiff
|
tree
2016-05-27
Mark Abraham
Fix readi
n
g of bon
d
ed tables
commit
|
commitdiff
|
tree
2016-05-26
Mark Abra
h
am
New q
u
ote
commit
|
commitdiff
|
tree
2016-05-26
Mark Abr
a
ham
Merge branch
r
elease-2016
commit
|
commitdiff
|
tree
2016-05-12
Mark Abr
a
ham
Merge branch r
e
lease-5-1
into release-2
0
1
6
commit
|
commitdiff
|
tree
2016-05-12
Mark Abra
h
am
GROMACS 20
1
6 beta1 release
commit
|
commitdiff
|
tree
2016-05-10
Mark A
b
ra
h
am
Bum
p
clan
g
s
t
at
i
c an
a
ly
z
er
t
o
version 3
.
8
commit
|
commitdiff
|
tree
2016-05-10
Mark
Ab
r
aham
Minor
u
pdate to
sphinx dep
e
ndency
commit
|
commitdiff
|
tree
2016-05-10
M
ark A
b
r
a
ham
F
acilitate link
i
ng with libcxx
commit
|
commitdiff
|
tree
2016-05-08
Mark Abraha
m
Fix
e
s for
c
lang 3
.
7 on PowerPC
commit
|
commitdiff
|
tree
2016-05-08
Mark Abr
a
h
a
m
Fix constants,
u
nits and c
o
nversion factors
commit
|
commitdiff
|
tree
2016-04-27
M
ark
A
brah
a
m
Me
r
ge br
a
nch release-5-1
commit
|
commitdiff
|
tree
2016-04-19
Mar
k
Abraham
Repl
a
c
e
l
i
b
xml2
wit
h
tinyxml2
for use in
test code
commit
|
commitdiff
|
tree
2016-04-19
Mark Abraham
Fix pars
e
_d
i
gits_from
_
stri
n
g
commit
|
commitdiff
|
tree
2016-04-19
Ma
r
k
A
bra
h
a
m
F
ix mdp
l
abel generation
commit
|
commitdiff
|
tree
2016-04-18
Ma
r
k Abra
h
am
Reduce compi
l
ation co
u
pling
of SIMD
module
commit
|
commitdiff
|
tree
2016-04-14
Mark
Abr
a
h
a
m
M
erge branch releas
e
-5-1
commit
|
commitdiff
|
tree
2016-04-01
Mar
k
Abraha
m
Reve
r
t to treating
-
1 as "gener
a
te a
seed" in
.
m
d
p
commit
|
commitdiff
|
tree
next