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Extend serialization to gmx_int64_t
2017-02-08
Mark Abraham
Extend serialization
to gmx_int64_t
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
Cre
a
te a
p
plied-forces module g
r
ou
p
commit
|
commitdiff
|
tree
2017-02-08
M
a
rk Abraham
Give MDMod
u
l
e
s responsibil
i
ty
f
or option handling
commit
|
commitdiff
|
tree
2017-02-07
Mar
k
Abra
h
am
Me
r
g
e branch release-20
1
6
commit
|
commitdiff
|
tree
2017-02-07
Mark
A
b
raham
Bu
m
p
e
d version
to pre
p
ar
e
for next patch
re
l
ease
commit
|
commitdiff
|
tree
2017-02-07
Mark Abrah
a
m
Introd
u
ced syst
e
m prepar
a
tion section to user guide
commit
|
commitdiff
|
tree
2017-02-07
Mark A
b
raham
Version 2016
.
2
commit
|
commitdiff
|
tree
2017-02-05
Mark Abraham
Merge branc
h
release-5-1
i
nto release-2016
commit
|
commitdiff
|
tree
2017-02-03
Mark Abraham
Remo
v
e typedef struct
in s
o
me
m
d
types fi
l
es
commit
|
commitdiff
|
tree
2017-02-02
Mark Abraham
C
larify u
s
e
o
f
tau
-
p an
d
pcoupltype
commit
|
commitdiff
|
tree
2017-01-31
Mark Abraha
m
M
er
g
e branch
r
elease-5-1 into
r
e
l
e
ase-2016
commit
|
commitdiff
|
tree
2017-01-30
Mark
A
braham
Fix mul
t
i
-domain reruns
commit
|
commitdiff
|
tree
2017-01-30
M
a
rk Ab
r
aham
Do
n
't
p
rint in
v
alid performance d
a
t
a
commit
|
commitdiff
|
tree
2017-01-23
Mark Abraha
m
Stopped header
fil
e
s
i
n
cluding st
a
te
.
h
commit
|
commitdiff
|
tree
2017-01-22
Mark A
b
r
a
ham
Fi
x
ed gmx rmsf -q -oq
.
commit
|
commitdiff
|
tree
2017-01-21
Mark Abraham
R
e
mo
v
ed i
n
it_sta
t
e
commit
|
commitdiff
|
tree
2017-01-20
M
ark Abraha
m
Initi
a
liz
e
GMX_*_LI
B
R
A
R
IES cmak
e
vari
a
bles earlier
commit
|
commitdiff
|
tree
2017-01-14
M
a
r
k
Abraham
Merge branch
release-2016
commit
|
commitdiff
|
tree
2017-01-06
M
a
rk Abraham
Document
I
Serializer
c
l
ass
commit
|
commitdiff
|
tree
2017-01-04
M
ark Abra
h
am
Stop try
i
ng to use objdump --relo
c
o
n Mac
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
Fix
docu
m
e
nt
a
t
i
on of OptionsVi
s
itor
commit
|
commitdiff
|
tree
2017-01-03
M
ark Abraham
Merg
e
branch release-5-1 into r
e
leas
e
-
2
016
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Corrected docume
n
tati
o
n about eigenvalue
h
andling
commit
|
commitdiff
|
tree
2016-12-20
Mark
Abra
h
am
Impr
o
ve buil
d
system for
p
lugin suppo
r
t
commit
|
commitdiff
|
tree
2016-12-20
M
ark
A
braham
Sanitize
s
ome includ
e
headers
commit
|
commitdiff
|
tree
2016-12-20
Mark A
b
r
a
ham
Mer
g
e bran
c
h rel
e
ase-2016
commit
|
commitdiff
|
tree
2016-12-15
Ma
r
k
Abraham
Removed
suppor
t
f
o
r
multi
p
le entrie
s
in m
d
p files
commit
|
commitdiff
|
tree
2016-12-15
Mark Abrah
a
m
Handle
w
arninp correctly
i
n
xpm2ps and membed
commit
|
commitdiff
|
tree
2016-12-14
M
a
rk Abraham
Fix misleading par
a
l
lelization docs for gmx wham
commit
|
commitdiff
|
tree
2016-12-09
Mark
Abraham
Fix
l
o
g
ic o
f
TRR re
a
ding
commit
|
commitdiff
|
tree
2016-12-09
Mark
A
b
raham
R
emove nxframe from t_
t
r
xstatus
commit
|
commitdiff
|
tree
2016-12-08
Mark Abra
h
am
Co
n
solidate
fil
e
s sup
p
ortin
g
TNG file
I
/O
commit
|
commitdiff
|
tree
2016-12-07
Mark A
b
raham
Merge branch releas
e
-20
1
6
commit
|
commitdiff
|
tree
2016-12-07
Mark Abrah
a
m
F
i
x m
e
mory
handling
in gmx dump of TNG file
s
commit
|
commitdiff
|
tree
2016-12-05
Mark Abraham
Remov
e
undue
narrowing of inte
g
er
i
n
TNG reading
commit
|
commitdiff
|
tree
2016-12-01
Mark Abraham
Add IN
S
TALL-
d
e
v t
o
aid peo
p
le d
o
ing un
u
sua
l
builds
commit
|
commitdiff
|
tree
2016-12-01
Mar
k
A
b
raham
Fix minor trjc
o
nv bug
commit
|
commitdiff
|
tree
2016-11-23
Mar
k
Abraham
Stop includ
i
ng tng_
i
o
_
fwd
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark Abra
h
a
m
Enh
a
nced ArrayRef
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
Created p
a
dde
d
vector
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark A
b
raham
Remove
u
ni
m
p
lemented g
m
x trjcat -vel
commit
|
commitdiff
|
tree
2016-10-31
Mark Abra
h
am
M
e
rge
b
ranch
r
elease
-
2
0
1
6
commit
|
commitdiff
|
tree
2016-10-31
M
a
rk A
b
rah
a
m
Merge branch releas
e
-20
1
6
commit
|
commitdiff
|
tree
2016-10-28
M
ark Abraham
Bumped ve
r
sion to prep
a
r
e
f
o
r
next patch release
commit
|
commitdiff
|
tree
2016-10-28
M
a
r
k
Abraham
Version 2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mark Abraham
Update install gui
d
e
commit
|
commitdiff
|
tree
2016-10-21
Ma
r
k A
b
raham
Update cppcheck suppor
t
to 1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
Mark
Ab
r
a
ham
U
pgra
d
e co
v
erage matrix
.
commit
|
commitdiff
|
tree
2016-10-18
Mark Abraham
Fix SIMD suggestion for VMX
commit
|
commitdiff
|
tree
2016-10-12
Mark Abrah
a
m
Make regression
t
est
s
updater b
u
il
d
work for master
.
.
.
commit
|
commitdiff
|
tree
2016-10-11
Mark A
b
raham
Upda
t
e
for FFTW
3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-10
Mark Abraham
Merge "Merge
branch release-2016"
commit
|
commitdiff
|
tree
2016-10-09
Ma
r
k Abra
h
am
M
erge branch release-2
0
16
commit
|
commitdiff
|
tree
2016-10-07
Mark Abraha
m
Add s
c
ri
p
t
f
o
r Jenkins
r
egressiontest u
p
date job
commit
|
commitdiff
|
tree
2016-10-03
Mark
A
braha
m
Merge b
r
a
nch release-5-1 i
n
to rel
e
ase-20
1
6
commit
|
commitdiff
|
tree
2016-10-03
M
a
rk Abraham
Replace use of depre
c
ated readdir_r
commit
|
commitdiff
|
tree
2016-09-12
Mark Abrah
a
m
Pre
l
imina
r
y clean up of N
V
ML co
d
e
commit
|
commitdiff
|
tree
2016-09-08
Ma
r
k Abraham
Merge br
a
n
c
h re
l
ease
-
5
-
1
i
nto releas
e
-2016
commit
|
commitdiff
|
tree
2016-09-08
M
ark Abraham
Bumped p
a
tch number
t
o prepare for
f
uture 5
.
1
.
5 r
e
lease
commit
|
commitdiff
|
tree
2016-09-07
Mark A
b
r
a
ham
Version 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark Ab
r
aham
Removed
H
IS1 fro
m
o
p
lsaa and char
m
m definitions
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Fix LYN charg
e
s in amber03
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Fi
x
amb
e
r03
HIP charges
commit
|
commitdiff
|
tree
2016-09-06
M
ark Abraham
Wor
k
around gl
i
bc 2
.
23 with C
U
DA
commit
|
commitdiff
|
tree
2016-08-27
Mark A
b
r
aha
m
Stop using gmx_fatal in gro
m
pp
commit
|
commitdiff
|
tree
2016-08-24
Mark A
b
r
aham
Remove hacks for out
d
ated Bl
u
e
G
e
ne
s
u
pport
commit
|
commitdiff
|
tree
2016-08-15
Mark Abraham
Merg
e
b
ranch
r
elease
-
2016
commit
|
commitdiff
|
tree
2016-08-15
M
ark
A
braham
F
i
xes for BG/Q p
l
atform files
and
i
nstall
g
uide
commit
|
commitdiff
|
tree
2016-08-12
M
ark Ab
r
ah
a
m
Bump numb
e
r to prepare for first patch r
e
lease
commit
|
commitdiff
|
tree
2016-08-04
Mark Abraha
m
Version
2
016
commit
|
commitdiff
|
tree
2016-07-29
M
ark Abraham
Impr
o
ve
handli
n
g o
f
g
mock and g
c
c6
commit
|
commitdiff
|
tree
2016-07-29
Mark Abraham
Merge branc
h
release-5-1
into
r
elease-2016
commit
|
commitdiff
|
tree
2016-07-28
M
a
rk Abrah
a
m
Add toolchain
f
lags for SSE2 compilation
commit
|
commitdiff
|
tree
2016-07-21
Mark Abraham
Bumped patc
h
number
t
o prep
a
re for future 5
.
1
.
4 release
commit
|
commitdiff
|
tree
2016-07-14
Mark Abrah
a
m
Fix i
s
sues with using
i
n
t
f
o
r numbe
r
of step
s
commit
|
commitdiff
|
tree
2016-07-13
Mark Ab
r
a
h
am
Version 5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
Mark Abraham
M
e
rge
b
ranch
r
elease-2016
commit
|
commitdiff
|
tree
2016-07-12
M
a
r
k
Abraha
m
Fix trr magic number
reading
commit
|
commitdiff
|
tree
2016-07-11
Mark Abraham
Fi
x
gmx
m
d
run -membed
-ntmpi
-
1
commit
|
commitdiff
|
tree
2016-07-11
Mark
A
b
r
aha
m
F
ix reg
r
e
ssiontest dow
n
load m
d
5sum
commit
|
commitdiff
|
tree
2016-07-09
Mark Abraham
First 2
0
16 release
c
andidate
commit
|
commitdiff
|
tree
2016-07-08
Mar
k
Abraham
Merge branc
h
release-5-1 into rel
e
ase-2016
commit
|
commitdiff
|
tree
2016-07-08
Mark
A
braha
m
S
i
m
plify SIMD
c
ompiler fl
a
g construction
commit
|
commitdiff
|
tree
2016-07-07
M
ar
k
Abra
h
am
Move c
o
nsist
e
ncy
chec
k
for number of
th
r
eads
commit
|
commitdiff
|
tree
2016-07-07
Mark Abraham
Fix
b
u
i
ld if libcuda
i
s
found but nvcc is not
commit
|
commitdiff
|
tree
2016-07-04
Mar
k
Abra
h
am
Fixes for Power7 big-endian
commit
|
commitdiff
|
tree
2016-07-01
Mar
k
Abraham
Fix use of _POSIX_THRE
A
D*
commit
|
commitdiff
|
tree
2016-06-30
Ma
r
k Abraham
Merge bran
c
h
release-5
-
1 into relea
s
e-2016
commit
|
commitdiff
|
tree
2016-06-29
Mark
Ab
r
aham
Refacto
r
sy
s
con
f
c
h
ecking
commit
|
commitdiff
|
tree
2016-06-29
M
ark
A
braham
Wo
r
k
a
round glibc 2
.
23 with C
U
DA
commit
|
commitdiff
|
tree
2016-06-28
Mark Abraham
Upd
a
te
t
o incl
u
de a gcc
6
.
1 configuration
commit
|
commitdiff
|
tree
2016-06-28
Mark Abr
a
ha
m
Fix SIMD configur
a
tion
man
a
gement
commit
|
commitdiff
|
tree
2016-06-27
Mark Abraham
R
e
mov
e
d
unnecessar
y
in
t
er
-
s
im
u
latio
n
sig
n
a
lling
commit
|
commitdiff
|
tree
2016-06-27
Mark Abraham
Merge branch
r
e
lease-5-1 into relea
s
e-2016
commit
|
commitdiff
|
tree
2016-06-23
Mark Ab
r
aha
m
Merge b
r
anch release-2016
commit
|
commitdiff
|
tree
2016-06-23
Mark Ab
r
aham
Allow use of e
x
tern
a
l
lmfit
p
a
ckage
commit
|
commitdiff
|
tree
2016-06-23
M
ark Abr
a
ham
Prevent use of mdrun -maxh -mult
i
commit
|
commitdiff
|
tree
2016-06-22
Mark Abrah
a
m
Fix configuration-time cpuin
f
o code
commit
|
commitdiff
|
tree
2016-06-22
Mark Abrah
a
m
Merge
b
ra
n
ch release-
5
-1 into release-2016
commit
|
commitdiff
|
tree
2016-06-22
Mark
A
bra
h
am
A
djust
and document C++11 c
o
m
p
iler tests
commit
|
commitdiff
|
tree
next