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Remove EST_DISTR from state.h
2017-02-09
Ma
r
k Abraham
Remove EST_DISTR from
state
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mark A
b
ra
h
am
Enh
a
nce
w
a
r
ninp
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
Extend
serialization t
o
gmx_i
n
t64_t
commit
|
commitdiff
|
tree
2017-02-08
Mar
k
Ab
r
aham
Crea
t
e appl
i
ed-fo
r
ces
module
g
rou
p
commit
|
commitdiff
|
tree
2017-02-08
Mar
k
Abra
h
am
Give MDModules responsib
i
lity for option ha
n
dl
i
ng
commit
|
commitdiff
|
tree
2017-02-07
Ma
r
k Abra
h
am
Merge branch r
e
lease
-
2
0
16
commit
|
commitdiff
|
tree
2017-02-07
Ma
r
k Abraham
B
u
mped versi
o
n t
o
p
repare
for nex
t
pat
c
h release
commit
|
commitdiff
|
tree
2017-02-07
Mark
A
braham
Int
r
oduced system preparation section to user guide
commit
|
commitdiff
|
tree
2017-02-07
Mark
A
braham
Version
2016
.
2
commit
|
commitdiff
|
tree
2017-02-05
Mark Abraham
Mer
g
e
branc
h
relea
s
e
-5-1 int
o
releas
e
-2016
commit
|
commitdiff
|
tree
2017-02-03
Mark Abr
a
ham
Remove
typedef s
t
ruct in some mdtypes files
commit
|
commitdiff
|
tree
2017-02-02
Mark Abrah
a
m
C
l
arify
use
o
f tau-p a
n
d pco
u
pltype
commit
|
commitdiff
|
tree
2017-01-31
Mark Ab
r
aham
Mer
g
e
b
ra
n
ch releas
e
-5
-
1 into release-2016
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
Fix mu
l
ti-domain reruns
commit
|
commitdiff
|
tree
2017-01-30
M
a
r
k Abraham
Don't print
inval
i
d
per
f
ormanc
e
d
ata
commit
|
commitdiff
|
tree
2017-01-23
Mark Abraham
Stopped head
e
r files including state
.
h
commit
|
commitdiff
|
tree
2017-01-22
Mark Abrah
a
m
Fixed gmx rmsf -q -o
q
.
commit
|
commitdiff
|
tree
2017-01-21
Mark A
b
rah
a
m
R
e
moved init_state
commit
|
commitdiff
|
tree
2017-01-20
Mar
k
Abr
a
ham
Initia
l
i
z
e GMX_*_LIBRARIES cma
k
e variabl
e
s earlier
commit
|
commitdiff
|
tree
2017-01-14
Mark Abraham
M
e
r
ge br
a
nch
r
ele
a
se
-
2016
commit
|
commitdiff
|
tree
2017-01-06
Mark Abr
a
h
am
Document ISerializer
c
las
s
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
St
o
p trying to use objdump --r
e
loc on
M
ac
commit
|
commitdiff
|
tree
2017-01-04
Mark Abr
a
ham
Fix docume
n
t
a
tion of OptionsVisitor
commit
|
commitdiff
|
tree
2017-01-03
Ma
r
k
Abraham
Merge br
a
n
c
h
r
elease-5
-
1 into r
e
lease-2016
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Corrected d
o
cum
e
n
tation about
e
i
genvalue h
a
ndli
n
g
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraha
m
I
m
prove build system for plug
i
n s
u
pp
o
rt
commit
|
commitdiff
|
tree
2016-12-20
Mark Abrah
a
m
San
i
tize some incl
u
de head
e
r
s
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Merge branch
release-2016
commit
|
commitdiff
|
tree
2016-12-15
Mark Abra
h
a
m
Removed support for
m
ultiple entries
in mdp files
commit
|
commitdiff
|
tree
2016-12-15
Mark Abraham
Handle
w
ar
n
inp corr
e
ct
l
y
in xpm2ps and memb
e
d
commit
|
commitdiff
|
tree
2016-12-14
Mark Abraham
Fix mislead
i
ng
p
aralleli
z
ati
o
n
d
ocs for gmx wh
a
m
commit
|
commitdiff
|
tree
2016-12-09
Mark Abr
a
h
am
Fix logic of TRR reading
commit
|
commitdiff
|
tree
2016-12-09
Mark Abraham
Remove nxframe from
t
_
t
rxsta
t
us
commit
|
commitdiff
|
tree
2016-12-08
M
ark
A
braham
Consolid
a
te
f
i
les s
u
pporting
T
NG
file I/O
commit
|
commitdiff
|
tree
2016-12-07
Mark Abra
h
am
Me
r
ge b
r
anch rel
e
ase-20
1
6
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraham
Fix
memory hand
l
i
n
g in gmx dump of TNG files
commit
|
commitdiff
|
tree
2016-12-05
M
a
rk Abraham
Remove
un
d
ue narr
o
wi
n
g
of integer
i
n TNG reading
commit
|
commitdiff
|
tree
2016-12-01
Mark Abraham
A
dd INST
A
LL-dev to
a
i
d
p
e
ople doing un
u
sual
builds
commit
|
commitdiff
|
tree
2016-12-01
Mark Abraham
F
i
x minor trjcon
v
bug
commit
|
commitdiff
|
tree
2016-11-23
Mark Abraha
m
S
top
i
n
cludi
n
g
t
ng_io_fwd
.
h
commit
|
commitdiff
|
tree
2016-11-16
M
a
r
k
A
bra
h
am
Enhanced ArrayRef
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
Cre
a
ted
p
a
d
de
d
vector
.
h
commit
|
commitdiff
|
tree
2016-11-16
Ma
r
k Abrah
a
m
Remove
unimplemented gmx trjca
t
-vel
commit
|
commitdiff
|
tree
2016-10-31
Mark Abraham
Merg
e
branch
r
elease
-
2016
commit
|
commitdiff
|
tree
2016-10-31
Mark Abraham
Me
r
ge
b
ran
c
h release-2016
commit
|
commitdiff
|
tree
2016-10-28
Ma
r
k Abraham
Bumped version to prepare for n
e
xt patch release
commit
|
commitdiff
|
tree
2016-10-28
Mark Abraham
Vers
i
on 2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mark
A
braham
Up
d
ate install guide
commit
|
commitdiff
|
tree
2016-10-21
Ma
r
k
A
b
r
aham
Update cppcheck su
p
port to 1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
Mark Ab
r
aha
m
U
pgrade cover
a
ge matrix
.
commit
|
commitdiff
|
tree
2016-10-18
Mark A
b
raham
F
ix SI
M
D suggestion
f
o
r
VMX
commit
|
commitdiff
|
tree
2016-10-12
Mar
k
Ab
r
aham
Make regressiontests updater build work fo
r
m
a
s
t
er
.
.
.
commit
|
commitdiff
|
tree
2016-10-11
Mark Abraha
m
Update for FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-10
Mark Abraham
Merge "Merge br
a
n
c
h rel
e
as
e
-
2016"
commit
|
commitdiff
|
tree
2016-10-09
M
ark Abraham
Merge branc
h
rel
e
ase-20
1
6
commit
|
commitdiff
|
tree
2016-10-07
Mark Abraham
Add s
c
ript for Jenkin
s
reg
r
essionte
s
t update
j
o
b
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
Merge branch release-5-1 into
r
elease-201
6
commit
|
commitdiff
|
tree
2016-10-03
Mark Abrah
a
m
R
eplace
use of
d
eprecated read
d
ir_r
commit
|
commitdiff
|
tree
2016-09-12
Mar
k
A
br
a
ham
Pr
e
limina
r
y clea
n
u
p
of NVML cod
e
commit
|
commitdiff
|
tree
2016-09-08
Mark Ab
r
aham
Merge branch rel
e
a
se-
5
-
1
into release-2016
commit
|
commitdiff
|
tree
2016-09-08
Mark
Ab
r
a
h
am
Bumped patch n
u
mber to
prepare
for future 5
.
1
.
5
relea
s
e
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
V
e
rsi
o
n 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Removed HIS
1
from o
p
lsaa a
n
d charmm definitions
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Fix LYN char
g
e
s in a
m
ber03
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Fix amber
0
3
HIP charges
commit
|
commitdiff
|
tree
2016-09-06
Mar
k
A
b
raham
Work ar
o
u
n
d
glibc 2
.
23 with
C
UD
A
commit
|
commitdiff
|
tree
2016-08-27
Mark
A
braha
m
S
top using gmx
_
fatal in grompp
commit
|
commitdiff
|
tree
2016-08-24
M
ark Abraham
Re
m
ove hacks for outda
t
ed Bl
u
eGene support
commit
|
commitdiff
|
tree
2016-08-15
Mark
A
braham
Merge branch
r
elease-2016
commit
|
commitdiff
|
tree
2016-08-15
M
a
rk A
b
ra
h
am
Fixes for BG/Q pla
t
form files
and inst
a
ll guide
commit
|
commitdiff
|
tree
2016-08-12
Mark
A
b
r
aham
Bum
p
num
b
er to prepare for fir
s
t p
a
tch
r
e
l
e
a
s
e
commit
|
commitdiff
|
tree
2016-08-04
Mark Abraham
Versi
o
n
2
016
commit
|
commitdiff
|
tree
2016-07-29
Ma
r
k
A
b
r
ah
a
m
I
mp
r
ove handling of gmo
c
k and gcc6
commit
|
commitdiff
|
tree
2016-07-29
M
a
rk Ab
r
aham
M
e
rge branch release-5-1 in
t
o
r
ele
a
se-2016
commit
|
commitdiff
|
tree
2016-07-28
Mark Ab
r
aham
Add
toolchain flag
s
f
o
r SSE2 compilat
i
o
n
commit
|
commitdiff
|
tree
2016-07-21
Mark Abraham
B
u
mped
p
at
c
h
number
t
o pre
p
are fo
r
future 5
.
1
.
4 release
commit
|
commitdiff
|
tree
2016-07-14
Mark Abraham
Fix issue
s
with u
s
ing int for number of steps
commit
|
commitdiff
|
tree
2016-07-13
Mark A
b
raham
Versi
o
n 5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
M
a
rk Abraha
m
Mer
g
e branch re
l
ease-20
1
6
commit
|
commitdiff
|
tree
2016-07-12
Mar
k
Abr
a
h
a
m
Fix
t
rr magic
n
u
mber re
a
ding
commit
|
commitdiff
|
tree
2016-07-11
Mark Abra
h
a
m
Fix
g
mx mdr
u
n -mem
b
ed -nt
m
pi -1
commit
|
commitdiff
|
tree
2016-07-11
Mark Abraham
Fix r
e
gressiontest dow
n
load md5sum
commit
|
commitdiff
|
tree
2016-07-09
Mark Abraham
F
i
rst 2016 release candid
a
te
commit
|
commitdiff
|
tree
2016-07-08
Mark Abraham
Merge branch re
l
e
a
s
e
-
5
-1 int
o
release
-
2016
commit
|
commitdiff
|
tree
2016-07-08
Mark Abraham
Simplify SIMD
co
m
piler
f
lag constru
c
tion
commit
|
commitdiff
|
tree
2016-07-07
Mark Abr
a
h
a
m
Move
consi
s
tency check for number of threads
commit
|
commitdiff
|
tree
2016-07-07
Mark Abra
h
am
Fix
b
uild if libcu
d
a is found but
nvcc is not
commit
|
commitdiff
|
tree
2016-07-04
Mar
k
A
braha
m
Fixes
f
or Power7 big-endia
n
commit
|
commitdiff
|
tree
2016-07-01
M
a
rk
Abraham
F
i
x use of _POS
I
X
_
THREAD*
commit
|
commitdiff
|
tree
2016-06-30
Mark
A
braham
Mer
g
e branch r
e
lease-
5
-1 into rele
a
se-2016
commit
|
commitdiff
|
tree
2016-06-29
Mark
Abraham
Refactor sysc
o
nf chec
k
ing
commit
|
commitdiff
|
tree
2016-06-29
Mark Abraha
m
Work
a
round
g
libc
2
.
2
3
wi
t
h CUDA
commit
|
commitdiff
|
tree
2016-06-28
Mark Abraham
Upd
a
te to inclu
d
e a gcc 6
.
1
c
onfiguration
commit
|
commitdiff
|
tree
2016-06-28
Mark Abrah
a
m
Fix SIMD configuration ma
n
ag
e
me
n
t
commit
|
commitdiff
|
tree
2016-06-27
Mark A
b
raham
Remov
e
d
un
n
eces
s
a
ry inter-simulation
s
ignal
l
ing
commit
|
commitdiff
|
tree
2016-06-27
Mark Abraham
Merge branch release-5-1 into
release-2016
commit
|
commitdiff
|
tree
2016-06-23
Mark Abrah
a
m
Merge bra
n
ch relea
s
e-2016
commit
|
commitdiff
|
tree
2016-06-23
Mark Abraham
Allow use of e
x
ternal lmfit pa
c
kage
commit
|
commitdiff
|
tree
2016-06-23
Mark Abraham
Preve
n
t use of m
d
run
-maxh -
m
u
lti
commit
|
commitdiff
|
tree
2016-06-22
Mark Abraham
Fix con
f
iguration-time c
p
u
i
nfo code
commit
|
commitdiff
|
tree
next