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Remove docs for unimplemented trjconv -clustercenter
2017-02-08
Mark Abraham
Remove docs for unimplemente
d
t
rjco
n
v -cl
u
stercen
t
er
commit
|
commitdiff
|
tree
2017-02-07
Mark Ab
r
aham
Bumped v
e
rsion
to prepa
r
e for next
p
atch releas
e
commit
|
commitdiff
|
tree
2017-02-07
Ma
r
k Abraham
Introduce
d
system preparation section to
u
se
r
guid
e
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Ver
s
io
n
2016
.
2
commit
|
commitdiff
|
tree
2017-02-05
M
a
r
k Abraham
Merg
e
br
a
nch
r
e
lease-5-1 in
t
o release-2016
commit
|
commitdiff
|
tree
2017-02-02
Mark Ab
r
aham
Clarify use of
t
a
u-p
and pcoupl
t
ype
commit
|
commitdiff
|
tree
2017-01-31
Mark A
b
raham
M
erge b
r
anch rel
e
as
e
-5-1 into releas
e
-
2016
commit
|
commitdiff
|
tree
2017-01-30
Mark Abrah
a
m
Fix multi-d
o
main r
e
runs
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
Don't p
r
int invalid performance
data
commit
|
commitdiff
|
tree
2017-01-22
Mark Abraham
Fixed gmx rmsf -q -oq
.
commit
|
commitdiff
|
tree
2017-01-04
Mark Abra
h
am
Stop
t
rying to use
objdum
p
--reloc on Mac
commit
|
commitdiff
|
tree
2017-01-03
Mark Abr
a
h
a
m
Merge
b
ranch release-5-
1
into release-2016
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Corrected doc
u
mentation
a
bout e
i
ge
n
value han
d
ling
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Improve build system
fo
r
p
l
ugin support
commit
|
commitdiff
|
tree
2016-12-15
Ma
r
k
Abraham
Handle warninp correctly in xp
m
2ps and membe
d
commit
|
commitdiff
|
tree
2016-12-14
Mark Abraham
Fix misleading parall
e
liz
a
tion docs for gmx wham
commit
|
commitdiff
|
tree
2016-12-09
Mark
A
bra
h
am
Fix lo
g
ic of TRR
r
eading
commit
|
commitdiff
|
tree
2016-12-07
Mark Abrah
a
m
F
ix me
m
ory
h
a
ndl
i
ng in gmx dum
p
of T
N
G files
commit
|
commitdiff
|
tree
2016-12-05
Ma
r
k Abraham
Remove undue narrowing
o
f integer in TNG
rea
d
ing
commit
|
commitdiff
|
tree
2016-12-01
Mark Abraham
Fix minor trjconv bug
commit
|
commitdiff
|
tree
2016-10-28
Mark Abra
h
am
B
umped ver
s
ion t
o
pr
e
pare for next patch release
commit
|
commitdiff
|
tree
2016-10-28
Mar
k
Abr
a
h
am
Version 2
0
16
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mark Abr
a
h
am
Update ins
t
all guide
commit
|
commitdiff
|
tree
2016-10-18
M
ark Abraham
Fix
S
I
MD s
u
ggestion for VMX
commit
|
commitdiff
|
tree
2016-10-11
Mark Abraham
Upd
a
te for FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-07
Mark Abraham
Add s
c
ript for Jenkins re
g
ressio
n
test update job
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
Merge bra
n
ch release-5-1 into
release-2
0
16
commit
|
commitdiff
|
tree
2016-10-03
Mark
A
br
a
ham
Rep
l
ace us
e
o
f deprecated rea
d
di
r
_r
commit
|
commitdiff
|
tree
2016-09-08
Mar
k
Abrah
a
m
Merge branch
release-5
-
1 into release-2016
commit
|
commitdiff
|
tree
2016-09-08
Mark
A
b
raham
Bumped
p
atch number to
pr
e
pare for future
5
.
1
.
5
r
elease
commit
|
commitdiff
|
tree
2016-09-07
M
a
rk Abraham
V
e
r
sion 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
M
a
rk Abraha
m
Rem
o
ved HIS1
f
rom opl
s
aa
a
n
d
charmm definitions
commit
|
commitdiff
|
tree
2016-09-07
Mark Ab
r
aham
Fix LYN charges in
a
mber03
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
F
i
x amber0
3
HIP char
g
es
commit
|
commitdiff
|
tree
2016-09-06
M
a
r
k
Abraham
Wo
r
k around
glibc 2
.
23
w
it
h
CUDA
commit
|
commitdiff
|
tree
2016-08-27
Ma
r
k
Abraham
St
o
p
using gmx_fatal
in grompp
commit
|
commitdiff
|
tree
2016-08-15
Ma
r
k Abraham
F
i
x
e
s for B
G
/
Q pla
t
fo
r
m files a
n
d install guide
commit
|
commitdiff
|
tree
2016-08-12
Mark Ab
r
aha
m
B
u
mp number to prepare for first
patch rele
a
se
commit
|
commitdiff
|
tree
2016-08-04
Mark Abraham
Version 2016
commit
|
commitdiff
|
tree
2016-07-29
Mark
A
b
raham
Im
p
rove handling of gmock
a
nd
g
cc6
commit
|
commitdiff
|
tree
2016-07-29
Mark Abraham
Merge bra
n
ch rel
e
ase-5-
1
into relea
s
e-
2
0
1
6
commit
|
commitdiff
|
tree
2016-07-28
M
a
rk Abraham
A
dd tool
c
hai
n
flag
s
for
SSE2 compilation
commit
|
commitdiff
|
tree
2016-07-21
M
ark
Abraham
Bumpe
d
patch
n
umber to
p
rep
a
r
e
for future 5
.
1
.
4
release
commit
|
commitdiff
|
tree
2016-07-14
Mark Abraham
Fix i
s
sues with
u
sing
i
n
t for number of ste
p
s
commit
|
commitdiff
|
tree
2016-07-13
Ma
r
k Abraham
Ve
r
s
i
on
5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
Mark Abraham
F
i
x t
r
r
mag
i
c
numbe
r
rea
d
ing
commit
|
commitdiff
|
tree
2016-07-11
Mark Abraham
Fix gmx
mdrun -membed
-
ntmpi -1
commit
|
commitdiff
|
tree
2016-07-11
M
ark
Abra
h
am
Fi
x
reg
r
essiontest downlo
a
d md5s
u
m
commit
|
commitdiff
|
tree
2016-07-09
Mark Abraham
First
2
016 release
c
a
ndidate
commit
|
commitdiff
|
tree
2016-07-08
Mark Abraham
Merge branch rele
a
se
-
5-1 into re
l
ease
-
2016
commit
|
commitdiff
|
tree
2016-07-08
Mar
k
Abraham
Simplify SIMD compil
e
r
f
l
ag constructio
n
commit
|
commitdiff
|
tree
2016-07-07
Mark Abr
a
ham
Move consistency check for number of threads
commit
|
commitdiff
|
tree
2016-07-07
Mark Abra
h
am
F
ix b
u
ild
i
f libcuda i
s
found but nvcc
is not
commit
|
commitdiff
|
tree
2016-07-04
Mark Abraham
Fixe
s
for Power7 big-en
d
ian
commit
|
commitdiff
|
tree
2016-07-01
Mar
k
Ab
r
aham
Fix use of _POSIX_THREAD
*
commit
|
commitdiff
|
tree
2016-06-30
Mark Abraham
Merg
e
branc
h
release-5-1 into release-
2
016
commit
|
commitdiff
|
tree
2016-06-29
Mar
k
Abraham
Refactor s
y
sconf che
c
king
commit
|
commitdiff
|
tree
2016-06-29
M
a
rk Abraham
Work around glibc 2
.
23 w
i
t
h
CUDA
commit
|
commitdiff
|
tree
2016-06-28
Mark Abraham
Update to
include a gcc 6
.
1
c
onfi
g
ura
t
i
on
commit
|
commitdiff
|
tree
2016-06-28
M
a
rk Ab
r
aham
Fix SIMD configu
r
atio
n
mana
g
ement
commit
|
commitdiff
|
tree
2016-06-27
M
ark
Abraham
Removed unnecessa
r
y inter-simulatio
n
signa
l
l
in
g
commit
|
commitdiff
|
tree
2016-06-27
M
a
r
k
A
braham
Merge bran
c
h rel
e
ase-5-1 i
n
to release-20
1
6
commit
|
commitdiff
|
tree
2016-06-23
Mark Abr
a
ham
Allow
u
se of
e
x
t
e
r
n
a
l
lmfit package
commit
|
commitdiff
|
tree
2016-06-23
Mark A
b
raham
Prevent u
s
e of mdrun -maxh -
m
ulti
commit
|
commitdiff
|
tree
2016-06-22
M
ar
k
A
braham
Fix configuration-time cpuinf
o
code
commit
|
commitdiff
|
tree
2016-06-22
M
a
rk Abraham
Me
r
ge
b
ranch release-
5
-1
i
nto rel
e
ase-2016
commit
|
commitdiff
|
tree
2016-06-22
M
a
r
k Abraham
Adjust and documen
t
C++11
c
ompiler tests
commit
|
commitdiff
|
tree
2016-06-20
Mark Abraham
U
pd
a
te pre-sub
m
it matrix c
o
n
t
en
t
s
commit
|
commitdiff
|
tree
2016-06-19
Mark Abraham
I
m
p
r
o
v
e
d
o
cs for linking st
d
libc++ needed by icc
commit
|
commitdiff
|
tree
2016-06-17
Mark Ab
r
aham
Merge branch release-5
-
1 into release-2016
commit
|
commitdiff
|
tree
2016-06-17
M
ark Abrah
a
m
Fix multi
-
sim + DD +
s
imple distance
restraints
commit
|
commitdiff
|
tree
2016-06-10
Mark Abraham
Find
p
y
t
ho
n
for docs bu
i
l
d
qui
e
tl
y
commit
|
commitdiff
|
tree
2016-06-08
Mark
A
b
raham
Mer
g
e
b
ranch release-5-1
into r
e
lease-2016
commit
|
commitdiff
|
tree
2016-06-07
Mark Abraha
m
Re-
a
dd support for linking aga
i
n
st external TinyXML-2
commit
|
commitdiff
|
tree
2016-06-07
Mark Abraham
Updates
to docum
e
ntation
commit
|
commitdiff
|
tree
2016-06-02
Mark Abr
a
ham
F
ix compatibility with
ol
d
er CMake
commit
|
commitdiff
|
tree
2016-06-02
Mark Abrah
a
m
Ma
k
e
more CMake var
i
ables
adva
n
c
e
d
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraham
Ignore stderr w
h
en detec
t
ing SIM
D
and build info
commit
|
commitdiff
|
tree
2016-05-31
Mar
k
A
b
r
aham
Fix r
e
ference to vmdio
.
c
t
o
be
v
m
d
io
.
cpp
commit
|
commitdiff
|
tree
2016-05-31
Mark
Ab
r
a
h
am
Second 2016 beta release
commit
|
commitdiff
|
tree
2016-05-29
Mar
k
Abra
h
am
Simpli
f
ied and updated
Open
C
L compilation
commit
|
commitdiff
|
tree
2016-05-27
Mark Abraha
m
Fix readi
n
g of
b
o
nd
e
d tables
commit
|
commitdiff
|
tree
2016-05-26
Mark Ab
r
a
h
a
m
N
ew quote
commit
|
commitdiff
|
tree
2016-05-12
Mark Abrah
a
m
Merge b
r
anch re
l
ea
s
e-5-1
into re
l
ease-
2
016
commit
|
commitdiff
|
tree
2016-05-12
M
a
rk
A
b
r
aham
GROMA
C
S
2
0
16 beta1 rele
a
se
commit
|
commitdiff
|
tree
2016-05-10
Mark Abraham
Bump
c
lang static analyzer to v
e
rsion
3
.
8
commit
|
commitdiff
|
tree
2016-05-10
Mark Abra
h
am
Minor upda
t
e to sph
i
n
x depe
n
d
enc
y
commit
|
commitdiff
|
tree
2016-05-10
Mark Abraham
Fac
i
litate l
i
n
king with libcxx
commit
|
commitdiff
|
tree
2016-05-08
Mar
k
Abra
h
am
Fi
x
es
for
c
l
ang 3
.
7
o
n PowerPC
commit
|
commitdiff
|
tree
2016-05-08
Mark Abraha
m
Fix constants, u
n
its
a
nd
c
onversion factors
commit
|
commitdiff
|
tree
2016-04-27
Mark
A
br
a
ham
M
erge b
r
anch release-5-1
commit
|
commitdiff
|
tree
2016-04-19
Mark Ab
r
aham
R
e
plac
e
li
b
xm
l
2 with tinyxml2 for use
i
n
t
e
st code
commit
|
commitdiff
|
tree
2016-04-19
Mark Ab
r
aham
Fix parse_digits_from_string
commit
|
commitdiff
|
tree
2016-04-19
M
a
r
k
Abraham
F
i
x mdp lab
e
l
generation
commit
|
commitdiff
|
tree
2016-04-18
Mark Ab
r
aham
Reduce c
o
mpilation coupling
o
f SIMD
m
odule
commit
|
commitdiff
|
tree
2016-04-14
M
a
rk Abraham
M
erg
e
branch release-5-1
commit
|
commitdiff
|
tree
2016-04-01
Mar
k
Abraham
Rev
e
rt t
o
trea
t
ing -1 as
"
gener
a
t
e
a see
d
" in
.
m
dp
commit
|
commitdiff
|
tree
2016-03-31
M
a
rk Ab
r
aham
Add test and improved
d
o
cs for custom checkSequence
commit
|
commitdiff
|
tree
2016-03-30
M
a
rk
Abra
h
am
Clean up vs
i
te code
commit
|
commitdiff
|
tree
2016-03-19
Mark Abraham
Ad
d
m
ore c
o
ns
t
correctnes
s
commit
|
commitdiff
|
tree
next