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Extend serialization to gmx_int64_t
2017-02-08
Mark Abraham
Extend seri
a
lization to gm
x
_i
n
t
64_t
commit
|
commitdiff
|
tree
2017-02-08
Mark A
b
raham
Cre
a
t
e applied-forces m
o
dule gro
u
p
commit
|
commitdiff
|
tree
2017-02-08
M
ark A
b
ra
h
am
G
i
v
e MDMod
u
les responsibi
l
ity for
o
ption
h
andlin
g
commit
|
commitdiff
|
tree
2017-02-07
Ma
r
k Abr
a
ham
Merge br
a
nch r
e
lease-2016
commit
|
commitdiff
|
tree
2017-02-07
M
ark Abr
a
h
a
m
Bumped version to
p
repare for next
p
atch r
e
lease
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraha
m
I
ntroduced
s
ystem preparatio
n
section to user guide
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Version 2016
.
2
commit
|
commitdiff
|
tree
2017-02-05
Mark
A
bra
h
am
Merge branch release-5-1 int
o
r
e
lease-2016
commit
|
commitdiff
|
tree
2017-02-03
Mark Abr
a
h
a
m
Remove
t
ypedef struct in some md
t
yp
e
s
f
ile
s
commit
|
commitdiff
|
tree
2017-02-02
Mar
k
Abraham
Clarify use of
tau-p an
d
pcoupltype
commit
|
commitdiff
|
tree
2017-01-31
Mark
A
braham
Merg
e
branch relea
s
e-5-
1
i
n
t
o
relea
s
e-2016
commit
|
commitdiff
|
tree
2017-01-30
M
ark Abraham
Fix multi-dom
a
i
n
r
e
r
uns
commit
|
commitdiff
|
tree
2017-01-30
M
a
rk Abraham
Don't prin
t
in
v
alid perf
o
rma
n
ce data
commit
|
commitdiff
|
tree
2017-01-23
Mark Abraham
St
o
pped header f
i
le
s
incl
u
ding state
.
h
commit
|
commitdiff
|
tree
2017-01-22
M
a
rk Abraham
F
ixed gmx
r
msf -q
-oq
.
commit
|
commitdiff
|
tree
2017-01-21
Mark Ab
r
a
h
am
Removed ini
t
_state
commit
|
commitdiff
|
tree
2017-01-20
Mark Ab
r
ah
a
m
Initialize
GMX_*_LIBRARIES cmake
v
ari
a
bl
e
s earlier
commit
|
commitdiff
|
tree
2017-01-14
Mark Abraham
Merge
b
ranch re
l
ease-2016
commit
|
commitdiff
|
tree
2017-01-06
Mark Abraham
Doc
u
ment ISerializer cla
s
s
commit
|
commitdiff
|
tree
2017-01-04
Mar
k
Abraham
Stop t
r
ying to use o
b
jd
u
mp --relo
c
on Mac
commit
|
commitdiff
|
tree
2017-01-04
Mark
Abra
h
am
Fix
d
ocume
n
t
a
ti
o
n
o
f
OptionsVisitor
commit
|
commitdiff
|
tree
2017-01-03
M
ark Abraham
Mer
g
e
bra
n
c
h
rel
e
ase-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-12-20
M
ark Abraham
Corr
e
cted documentati
o
n
a
bout eigenvalue ha
n
dling
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraha
m
Improv
e
buil
d
system for plu
g
in
support
commit
|
commitdiff
|
tree
2016-12-20
Mark
A
braha
m
S
an
i
t
ize
some
i
n
clude hea
d
ers
commit
|
commitdiff
|
tree
2016-12-20
Mar
k
Ab
r
aham
Merge branch release-2016
commit
|
commitdiff
|
tree
2016-12-15
Mark Abraha
m
Remove
d
s
upport f
o
r m
u
ltiple entr
i
es in mdp files
commit
|
commitdiff
|
tree
2016-12-15
Mark
A
braham
Han
d
le warninp correc
t
ly in x
p
m2ps and membe
d
commit
|
commitdiff
|
tree
2016-12-14
Ma
r
k
A
braham
Fi
x
mislea
d
ing paralleli
z
a
t
io
n
docs for gmx wham
commit
|
commitdiff
|
tree
2016-12-09
Mark Abraham
Fi
x
logic of TRR rea
d
i
ng
commit
|
commitdiff
|
tree
2016-12-09
M
ark Abraham
R
e
move n
x
fr
a
me from
t
_
trxstatus
commit
|
commitdiff
|
tree
2016-12-08
Mark Abr
a
h
am
Consolidate fil
e
s supp
o
rtin
g
TNG f
i
l
e I/O
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraham
M
erge
bra
n
c
h
release-2016
commit
|
commitdiff
|
tree
2016-12-07
Mar
k
Abraham
Fix
memory h
a
nd
l
ing in gmx
d
ump
o
f
TNG files
commit
|
commitdiff
|
tree
2016-12-05
Mark Abraha
m
R
emove undue narrowing of
integer in
T
NG
reading
commit
|
commitdiff
|
tree
2016-12-01
Mark Abraham
Add INS
T
ALL-dev
to ai
d
peopl
e
doing unusual bu
i
lds
commit
|
commitdiff
|
tree
2016-12-01
Mar
k
Abraham
Fix minor trjconv bug
commit
|
commitdiff
|
tree
2016-11-23
M
ark Abraham
Sto
p
i
n
c
l
u
d
ing tng
_
io_
f
wd
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
E
nhance
d
ArrayRef
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
Created pa
d
dedvec
t
o
r
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark A
b
ra
h
am
Remov
e
u
n
implemen
t
ed gmx
trjcat -vel
commit
|
commitdiff
|
tree
2016-10-31
Mar
k
A
braham
Merge b
r
anc
h
release-2016
commit
|
commitdiff
|
tree
2016-10-31
Mark Abr
a
ham
M
erge
b
ra
n
ch re
l
ease-2016
commit
|
commitdiff
|
tree
2016-10-28
Mark A
b
r
a
ham
B
umped ve
r
s
ion to prepar
e
for next patc
h
release
commit
|
commitdiff
|
tree
2016-10-28
Mark A
b
ra
h
a
m
Version 2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
M
ar
k
Abra
h
am
Update install guide
commit
|
commitdiff
|
tree
2016-10-21
Ma
r
k Abraham
U
pdate cpp
c
hec
k
support to 1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
Mark A
b
raham
Upg
r
ad
e
cover
a
ge matrix
.
commit
|
commitdiff
|
tree
2016-10-18
M
a
rk Abraham
Fix
S
IMD suggestion for
V
MX
commit
|
commitdiff
|
tree
2016-10-12
Mar
k
Ab
r
aha
m
Make reg
r
essiontests upd
a
t
er
b
uild work for master
.
.
.
commit
|
commitdiff
|
tree
2016-10-11
Ma
r
k Abra
h
am
Update for
F
FTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-10
Mark
Abrah
a
m
Merge "Merge branch relea
s
e
-
2016"
commit
|
commitdiff
|
tree
2016-10-09
Mark
Abraham
M
erge
branch r
e
lease-2016
commit
|
commitdiff
|
tree
2016-10-07
Mark Abraha
m
Add
s
c
rip
t
f
or
J
enkin
s
regressiontest update jo
b
commit
|
commitdiff
|
tree
2016-10-03
Mark Abrah
a
m
Merge br
a
nc
h
release-5-
1
into release-2016
commit
|
commitdiff
|
tree
2016-10-03
Mark Abr
a
ham
Replace use of depr
e
ca
t
ed readdir_r
commit
|
commitdiff
|
tree
2016-09-12
Mark Abraham
Prel
i
mi
n
a
r
y clean u
p
of NVML code
commit
|
commitdiff
|
tree
2016-09-08
M
a
rk Abraham
Mer
g
e branch r
e
lease-5-1
i
nt
o
re
l
ease-2
0
16
commit
|
commitdiff
|
tree
2016-09-08
Mark
Abra
h
am
B
umped
p
a
tc
h
number to pre
p
a
re for f
u
ture 5
.
1
.
5 rele
a
se
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Ver
s
i
o
n 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Removed HI
S
1 from oplsaa an
d
charmm d
e
finiti
o
ns
commit
|
commitdiff
|
tree
2016-09-07
Mark Abr
a
ham
Fix LYN charges in a
m
ber03
commit
|
commitdiff
|
tree
2016-09-07
M
a
rk Abraham
Fix amber03 HIP
cha
r
ges
commit
|
commitdiff
|
tree
2016-09-06
Mark Abraha
m
Work ar
o
u
n
d gli
b
c 2
.
2
3 with CUDA
commit
|
commitdiff
|
tree
2016-08-27
Ma
r
k A
b
raha
m
S
t
op using gm
x
_fatal
i
n
g
r
ompp
commit
|
commitdiff
|
tree
2016-08-24
Mar
k
A
b
raham
Remove hacks for outda
t
ed B
l
ueGen
e
s
u
p
port
commit
|
commitdiff
|
tree
2016-08-15
Mark A
b
r
ah
a
m
Me
r
ge branch re
l
e
ase
-
20
1
6
commit
|
commitdiff
|
tree
2016-08-15
Mark Ab
r
aham
F
ixes
f
o
r BG/Q pl
a
tform
file
s
and
install guide
commit
|
commitdiff
|
tree
2016-08-12
Mark Abr
a
h
am
Bump number to prepar
e
for
firs
t
patch release
commit
|
commitdiff
|
tree
2016-08-04
Mark Abrah
a
m
Version 2016
commit
|
commitdiff
|
tree
2016-07-29
Mark Abraha
m
Improve
handling of gmock and gcc6
commit
|
commitdiff
|
tree
2016-07-29
Mar
k
Abra
h
a
m
Merg
e
b
r
anc
h
r
elease-5-1 int
o
rele
a
s
e
-
2016
commit
|
commitdiff
|
tree
2016-07-28
Mark
A
braham
Add t
o
o
l
chain flags for SSE2 compil
a
tion
commit
|
commitdiff
|
tree
2016-07-21
Mark
Abraham
Bumped patch num
b
er
to pre
p
are for future 5
.
1
.
4 release
commit
|
commitdiff
|
tree
2016-07-14
Mark Abraham
Fix iss
u
es wi
t
h using
int for number of s
t
e
ps
commit
|
commitdiff
|
tree
2016-07-13
Mark Ab
r
aham
Ver
s
ion
5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
Mark Abra
h
am
Merge br
a
n
c
h re
l
ease
-
2
0
16
commit
|
commitdiff
|
tree
2016-07-12
Mark Abraham
Fix trr magi
c
number reading
commit
|
commitdiff
|
tree
2016-07-11
Mark Ab
r
ah
a
m
F
ix gmx mdrun -me
m
bed
-ntmpi -1
commit
|
commitdiff
|
tree
2016-07-11
Mark
Abr
a
ham
Fix reg
r
essiontest dow
n
load md5sum
commit
|
commitdiff
|
tree
2016-07-09
Mark Abrah
a
m
Firs
t
2016 rele
a
se candi
d
ate
commit
|
commitdiff
|
tree
2016-07-08
Mark Abraham
Merge branch releas
e
-5
-
1 into
r
elease-2016
commit
|
commitdiff
|
tree
2016-07-08
Mark Abr
a
ham
Simplify SIMD compile
r
flag
c
onstru
c
tion
commit
|
commitdiff
|
tree
2016-07-07
Mark Abraham
Mo
v
e con
s
istency check for number of thre
a
ds
commit
|
commitdiff
|
tree
2016-07-07
Mark Abraham
Fi
x
build
i
f libcuda is f
o
u
n
d b
u
t nv
c
c is not
commit
|
commitdiff
|
tree
2016-07-04
Mark Abra
h
am
Fixes for Power
7
big-endian
commit
|
commitdiff
|
tree
2016-07-01
Mark Abraham
Fix us
e
o
f _POSIX_THREAD*
commit
|
commitdiff
|
tree
2016-06-30
Ma
r
k Abr
a
ham
Merge branch release-
5
-1 into release
-
2016
commit
|
commitdiff
|
tree
2016-06-29
Ma
r
k Abraham
Refactor sysconf chec
k
i
n
g
commit
|
commitdiff
|
tree
2016-06-29
Mark
Abraha
m
W
o
rk
a
rou
n
d glibc 2
.
2
3
with CU
D
A
commit
|
commitdiff
|
tree
2016-06-28
M
a
rk A
b
raham
Updat
e
to include
a
g
cc 6
.
1 configuration
commit
|
commitdiff
|
tree
2016-06-28
M
a
rk Abraham
Fi
x
SIMD configuration managemen
t
commit
|
commitdiff
|
tree
2016-06-27
Mar
k
Abraham
Removed unnecessary inter
-
simulation signallin
g
commit
|
commitdiff
|
tree
2016-06-27
M
ark Abraham
Mer
g
e
branch re
l
ease-5-1 into
release-
2
016
commit
|
commitdiff
|
tree
2016-06-23
M
ark
Abr
a
ham
Merge branch
r
e
lease-
2
016
commit
|
commitdiff
|
tree
2016-06-23
Mark Abrah
a
m
Allow use of ex
t
erna
l
lmfit
p
a
c
kag
e
commit
|
commitdiff
|
tree
2016-06-23
Ma
r
k Abraham
Prevent
u
s
e of mdrun -maxh
-multi
commit
|
commitdiff
|
tree
2016-06-22
Mark Ab
r
aham
Fix con
f
iguration-time cpuinfo code
commit
|
commitdiff
|
tree
2016-06-22
Mar
k
Abraham
Merge branch release-5-1 into rele
a
se-2016
commit
|
commitdiff
|
tree
2016-06-22
M
a
r
k Abraham
Adjust and docume
n
t C++11
c
ompiler tests
commit
|
commitdiff
|
tree
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