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Improved state_change_natoms and used it more
2017-02-09
M
ark Abra
h
am
Impro
v
ed st
a
te_change
_
n
atoms and used
it more
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
R
e
move EST_DISTR from state
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
Enhance
w
a
rninp
commit
|
commitdiff
|
tree
2017-02-08
M
ark Abra
h
am
E
x
t
en
d
s
eri
a
liza
t
ion to gmx_i
n
t
6
4_t
commit
|
commitdiff
|
tree
2017-02-08
Ma
r
k Abra
h
am
Cre
a
te appli
e
d
-forces
m
odule
g
roup
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
G
ive MDModules responsibility
f
or option
h
andling
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Mer
g
e
branch release
-
2016
commit
|
commitdiff
|
tree
2017-02-07
Mar
k
Abraham
B
u
m
ped ver
s
io
n
to prep
a
re for next patc
h
release
commit
|
commitdiff
|
tree
2017-02-07
M
a
r
k
Abraham
Intr
o
duced
s
y
s
tem prepara
t
i
on section to u
s
er guide
commit
|
commitdiff
|
tree
2017-02-07
Mark Abra
h
a
m
V
e
rsion 2016
.
2
commit
|
commitdiff
|
tree
2017-02-05
M
a
r
k
A
braham
Merge branch re
l
ease-5-1 i
n
to release-2016
commit
|
commitdiff
|
tree
2017-02-03
M
a
rk Abraham
R
em
o
ve typedef struct in so
m
e mdtyp
e
s files
commit
|
commitdiff
|
tree
2017-02-02
Mark
A
b
ra
h
am
Clari
f
y use of
tau-p and pcouplty
p
e
commit
|
commitdiff
|
tree
2017-01-31
Mark
Abraham
Me
r
ge bra
n
ch
r
el
e
ase-5-1 into release-201
6
commit
|
commitdiff
|
tree
2017-01-30
Ma
r
k
A
braham
Fix mu
l
t
i-dom
a
in reruns
commit
|
commitdiff
|
tree
2017-01-30
Mark
Abraham
Don
'
t prin
t
inv
a
lid
p
erf
o
rmance dat
a
commit
|
commitdiff
|
tree
2017-01-23
Mark
A
b
r
ah
a
m
St
o
pped header
files including state
.
h
commit
|
commitdiff
|
tree
2017-01-22
Ma
r
k Abraham
F
ixe
d
gmx rmsf -q -
o
q
.
commit
|
commitdiff
|
tree
2017-01-21
Mark Abraham
Rem
o
v
e
d
init_sta
t
e
commit
|
commitdiff
|
tree
2017-01-20
Mar
k
A
braham
Initialize GMX
_
*
_
LIBR
A
RIES cmake va
r
iables
ear
l
ier
commit
|
commitdiff
|
tree
2017-01-14
Ma
r
k Abraham
Mer
g
e bra
n
ch rele
a
s
e
-
201
6
commit
|
commitdiff
|
tree
2017-01-06
Mark Abraham
Document ISerializer cl
a
s
s
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
Stop
try
i
n
g
to use objdu
m
p --reloc on M
a
c
commit
|
commitdiff
|
tree
2017-01-04
M
a
r
k Abraham
Fix do
c
umentat
i
o
n
of OptionsVisitor
commit
|
commitdiff
|
tree
2017-01-03
Mark
A
braha
m
Merge b
r
a
nch
r
eleas
e
-5-1 into r
e
lease-2016
commit
|
commitdiff
|
tree
2016-12-20
Mark
A
bra
h
am
Corrected d
o
cume
n
tation ab
o
u
t
e
igenv
a
lue handl
i
ng
commit
|
commitdiff
|
tree
2016-12-20
M
a
r
k Abraham
Improve
b
uild
sys
t
e
m
for plugin support
commit
|
commitdiff
|
tree
2016-12-20
M
a
rk Abraham
Sanitize s
o
me
include
h
e
aders
commit
|
commitdiff
|
tree
2016-12-20
Mark Abra
h
am
Merge branch release-2016
commit
|
commitdiff
|
tree
2016-12-15
Mark Abraham
Removed supp
o
r
t
for
m
u
l
t
iple entr
i
es in mdp files
commit
|
commitdiff
|
tree
2016-12-15
Mark Abraham
Handle w
a
rninp
correctly i
n
x
pm
2
ps and membed
commit
|
commitdiff
|
tree
2016-12-14
M
a
rk Abraham
Fix misleading p
a
rallelization
docs for
gmx wham
commit
|
commitdiff
|
tree
2016-12-09
Mark
A
braham
Fix logic of TR
R
read
i
ng
commit
|
commitdiff
|
tree
2016-12-09
Ma
r
k Abraham
Remove nxfra
m
e f
r
om t_trxstatus
commit
|
commitdiff
|
tree
2016-12-08
Mar
k
Abraham
Consolidate files s
u
p
porting
T
NG file I
/
O
commit
|
commitdiff
|
tree
2016-12-07
Mark Ab
r
aha
m
Merge branch re
l
ease-2016
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraham
Fi
x
me
m
ory handli
n
g in gmx dump of TNG fi
l
e
s
commit
|
commitdiff
|
tree
2016-12-05
Mar
k
Abraham
Remove
undue narrowing
of
i
nteger in
T
NG reading
commit
|
commitdiff
|
tree
2016-12-01
M
ar
k
Abra
h
a
m
Add IN
S
TALL-dev to ai
d
p
e
ople
doi
n
g unusual builds
commit
|
commitdiff
|
tree
2016-12-01
Mark Abr
a
ham
Fi
x
minor
tr
j
c
o
nv bug
commit
|
commitdiff
|
tree
2016-11-23
M
ark Abraham
Stop inc
l
u
d
ing
t
ng_io_fwd
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
Enhanced ArrayRef
commit
|
commitdiff
|
tree
2016-11-16
M
ark
A
braham
Creat
e
d
p
a
d
de
d
vector
.
h
commit
|
commitdiff
|
tree
2016-11-16
Ma
r
k Abra
h
a
m
R
e
move unimplemented
gmx trjcat -vel
commit
|
commitdiff
|
tree
2016-10-31
Mark Abra
h
a
m
Merge br
a
nch rel
e
ase-2016
commit
|
commitdiff
|
tree
2016-10-31
Ma
r
k Abraham
Mer
g
e b
r
an
c
h release-2016
commit
|
commitdiff
|
tree
2016-10-28
Mark Abraham
Bum
p
e
d
vers
i
on to prepare for next patch
r
e
l
e
a
se
commit
|
commitdiff
|
tree
2016-10-28
M
ark Abraham
V
e
rsion 2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mark Abraham
Updat
e
install
guide
commit
|
commitdiff
|
tree
2016-10-21
Mark A
b
raham
Up
d
ate cpp
c
heck support to 1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
Ma
r
k
Ab
r
aham
Upgrade coverage matrix
.
commit
|
commitdiff
|
tree
2016-10-18
Mark Abr
a
ham
Fix SIMD suggestion for VMX
commit
|
commitdiff
|
tree
2016-10-12
Mark Abra
h
am
Mak
e
regress
i
on
t
ests updater
b
uild work for
m
ast
e
r
.
.
.
commit
|
commitdiff
|
tree
2016-10-11
M
a
rk
Abrah
a
m
Update for FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-10
Mark Abraha
m
Merge "Merge bra
n
ch rel
e
ase-2016
"
commit
|
commitdiff
|
tree
2016-10-09
Mark Abraham
M
e
rge branch
rel
e
ase-2016
commit
|
commitdiff
|
tree
2016-10-07
Mark A
b
raham
Add s
c
r
i
pt for Jenkins reg
r
e
ssiont
e
st updat
e
job
commit
|
commitdiff
|
tree
2016-10-03
Mark
A
braham
M
e
rge branc
h
release-5
-
1 into re
l
ease
-
2016
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
Replace use of deprecated readdir_
r
commit
|
commitdiff
|
tree
2016-09-12
M
ark Ab
r
a
ham
Prelimina
r
y clea
n
up of
NVML code
commit
|
commitdiff
|
tree
2016-09-08
Mar
k
Abra
h
am
Merge bran
c
h rel
e
a
s
e-5-1 in
t
o re
l
ease-
2
016
commit
|
commitdiff
|
tree
2016-09-08
Mark Abraham
Bumped
p
atch number to p
r
epar
e
for futur
e
5
.
1
.
5
rel
e
ase
commit
|
commitdiff
|
tree
2016-09-07
Mark
Abraham
Version 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
R
e
moved HIS1 fro
m
oplsaa an
d
ch
a
rmm definitions
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Fix
L
Y
N charge
s
in amber03
commit
|
commitdiff
|
tree
2016-09-07
M
ark
Abr
a
h
am
Fix
amber03 HIP ch
a
rges
commit
|
commitdiff
|
tree
2016-09-06
Mark Abraham
Work around glibc 2
.
23 with C
U
DA
commit
|
commitdiff
|
tree
2016-08-27
Mark
A
b
raham
Stop using g
m
x_fatal in grom
p
p
commit
|
commitdiff
|
tree
2016-08-24
Ma
r
k Abraham
Remove hacks for
o
u
td
a
ted BlueGe
n
e supp
o
rt
commit
|
commitdiff
|
tree
2016-08-15
Mark Abr
a
ham
M
erg
e
b
r
anch release-2016
commit
|
commitdiff
|
tree
2016-08-15
M
ar
k
Abraham
Fixes f
o
r BG/Q pla
t
f
orm fi
l
es and
install g
u
ide
commit
|
commitdiff
|
tree
2016-08-12
M
ark Abraham
Bump number to prepare for first patch release
commit
|
commitdiff
|
tree
2016-08-04
Ma
r
k A
b
raham
Ver
s
ion 2016
commit
|
commitdiff
|
tree
2016-07-29
Mark Ab
r
aham
Imp
r
ov
e
handlin
g
o
f
gm
o
ck
and gcc6
commit
|
commitdiff
|
tree
2016-07-29
Mar
k
Abraham
Merge bra
n
ch release-
5
-1 into relea
s
e-2016
commit
|
commitdiff
|
tree
2016-07-28
Mark A
b
raham
Add toolchain fl
a
gs
f
o
r
SSE2 compil
a
tion
commit
|
commitdiff
|
tree
2016-07-21
M
a
rk Abraha
m
Bumped patch
n
umber
to prepare for
future 5
.
1
.
4
r
e
lease
commit
|
commitdiff
|
tree
2016-07-14
Mark Abraham
F
i
x
i
ssues
w
i
th us
i
ng int fo
r
number of ste
p
s
commit
|
commitdiff
|
tree
2016-07-13
Mark Abraham
Version 5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
Ma
r
k Ab
r
aham
M
erge b
r
anch
r
e
lease-2016
commit
|
commitdiff
|
tree
2016-07-12
M
ark
A
braham
F
ix trr mag
i
c
number readin
g
commit
|
commitdiff
|
tree
2016-07-11
Mark Ab
r
aham
Fix gmx
m
d
r
un
-
membed -ntmpi -1
commit
|
commitdiff
|
tree
2016-07-11
Mark Abraham
Fix
reg
r
essiontes
t
d
o
wnload md5sum
commit
|
commitdiff
|
tree
2016-07-09
Mark
A
b
ra
h
am
First
2
0
16
r
e
lease candidate
commit
|
commitdiff
|
tree
2016-07-08
M
ark Abraham
M
e
r
ge br
a
nc
h
rel
e
as
e
-
5-1 into release-2016
commit
|
commitdiff
|
tree
2016-07-08
M
a
rk Abraham
Simplify
S
IMD compiler flag construc
t
ion
commit
|
commitdiff
|
tree
2016-07-07
Mar
k
Abrah
a
m
Move consis
t
ency
ch
e
ck for nu
m
ber of threads
commit
|
commitdiff
|
tree
2016-07-07
Mark Abraham
Fix
build
i
f
libcuda is fo
u
n
d
but
n
v
c
c i
s
not
commit
|
commitdiff
|
tree
2016-07-04
Mark Ab
r
aham
Fixes for Power7 b
i
g
-
e
n
di
a
n
commit
|
commitdiff
|
tree
2016-07-01
M
ark Abra
h
am
Fi
x
use of
_PO
S
IX_TH
R
EAD*
commit
|
commitdiff
|
tree
2016-06-30
Mark A
b
ra
h
am
Merge branc
h
r
e
le
a
s
e-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-06-29
Mark A
b
r
a
ham
Refact
o
r
s
yscon
f
checking
commit
|
commitdiff
|
tree
2016-06-29
Mark Abraham
Work arou
n
d gl
i
bc 2
.
23 w
i
th CUDA
commit
|
commitdiff
|
tree
2016-06-28
Mark Abraham
Update t
o
include a g
c
c 6
.
1 c
o
nfiguration
commit
|
commitdiff
|
tree
2016-06-28
Mar
k
Abr
a
ham
Fix SIMD co
n
f
i
g
uration ma
n
a
gement
commit
|
commitdiff
|
tree
2016-06-27
Mark Abraham
Rem
o
ved
unnecessary inter-simulation sig
n
alling
commit
|
commitdiff
|
tree
2016-06-27
M
ark Abraham
Mer
g
e branch release-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-06-23
Mark
Abrah
a
m
Me
r
g
e
b
r
a
n
c
h release-2
0
16
commit
|
commitdiff
|
tree
2016-06-23
Mark
A
b
raham
All
o
w use of external lm
f
it package
commit
|
commitdiff
|
tree
2016-06-23
Mark Abraham
Preve
n
t
use
of mdrun
-maxh -mult
i
commit
|
commitdiff
|
tree
next