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New and reorganized documentation
2015-02-12
Roland Schulz
Merge rel
e
ase-5
-
0 into master
commit
|
commitdiff
|
tree
2015-02-12
Roland Schu
l
z
Merge release-4
-
6 into relea
s
e-5-0
commit
|
commitdiff
|
tree
2015-02-10
R
oland Schulz
Don't set
C
FLAGS fo
r
Ph
i
in to
o
lchain
commit
|
commitdiff
|
tree
2015-02-10
Roland Schulz
Work-around for
I
CC 15 on Phi
commit
|
commitdiff
|
tree
2015-02-07
Roland Schu
l
z
Make FindBoost quit
e
commit
|
commitdiff
|
tree
2015-02-02
Roland Schulz
Fix
FP exceptio
n
in FE
commit
|
commitdiff
|
tree
2015-01-27
Roland S
c
hulz
Workaroun
d
for MemorySanitize
r
commit
|
commitdiff
|
tree
2015-01-27
Roland Schulz
Fix
u
nit
l
ized mem
o
ry read
i
n checkpoin
t
commit
|
commitdiff
|
tree
2015-01-05
R
o
l
and S
c
hulz
En
a
b
le fp-exce
p
ti
o
n
s
commit
|
commitdiff
|
tree
2014-12-18
Roland S
c
hulz
Fix
CMP0054 cmake 3
.
1
.
0
w
arnings
commit
|
commitdiff
|
tree
2014-12-17
Roland
Schulz
Merge "Merge bra
n
ch 'relea
s
e-5-
0
'
"
commit
|
commitdiff
|
tree
2014-12-17
Roland Schulz
Fix
c
ppcheck-1
.
67 warn
i
ngs
commit
|
commitdiff
|
tree
2014-12-15
Rola
n
d
S
chulz
Fix NVML det
e
ction
o
n Win
d
ows
commit
|
commitdiff
|
tree
2014-12-13
Rol
a
nd Sc
h
u
l
z
Use bitmask for
b
o
nded
commit
|
commitdiff
|
tree
2014-12-07
Roland
S
chulz
Merge
r
e
l
e
ase-5-0 into m
a
s
ter
commit
|
commitdiff
|
tree
2014-11-26
Roland Schulz
Fix clang wi
t
h boos
t
1
.
46
.
1
a
nd
1
.
47
commit
|
commitdiff
|
tree
2014-11-26
Roland Schu
l
z
Merge release-5-0 into
m
aste
r
commit
|
commitdiff
|
tree
2014-11-23
Roland Schulz
S
e
t GMX_SIMD to MIC for Xeon Phi
commit
|
commitdiff
|
tree
2014-11-12
Roland
Sc
h
ulz
Use stat
t
o
c
h
eck
t
h
at pa
t
h
s
are equivalen
t
commit
|
commitdiff
|
tree
2014-11-12
R
o
l
and S
c
hulz
Add
bit
m
ask type
commit
|
commitdiff
|
tree
2014-11-09
Rola
n
d
Schulz
Backport
v
a
lgrind s
u
pp
r
ession
commit
|
commitdiff
|
tree
2014-11-09
R
o
land Sch
u
lz
Fix CMP0054 cmake 3
.
1
.
0 warnings
commit
|
commitdiff
|
tree
2014-11-05
Roland Schulz
M
i
n
o
r update of boost R
E
ADME
commit
|
commitdiff
|
tree
2014-10-30
Roland Schulz
Me
r
ge "Mer
g
e release-5-0 i
n
to master"
commit
|
commitdiff
|
tree
2014-10-26
Roland Schulz
A
d
d Windo
w
s
support for
hos
t
-/usernam
e
commit
|
commitdiff
|
tree
2014-10-22
R
o
land
S
chulz
Remo
v
e Catamount cma
k
e
commit
|
commitdiff
|
tree
2014-10-21
R
oland Schulz
Fix
C++11 flags for MingW
commit
|
commitdiff
|
tree
2014-10-20
Rolan
d
S
chulz
Crea
t
e scoped
_
cptr to replace scoped_ptr_
s
free
commit
|
commitdiff
|
tree
2014-10-20
Roland Sc
h
ulz
Us
e
d
IW
Y
U
to partiall
y
clean u
p
some includes
commit
|
commitdiff
|
tree
2014-10-12
Rola
n
d Schulz
Fix mis
i
dentification of dot i
n
path name
commit
|
commitdiff
|
tree
2014-10-05
Rola
n
d Schu
l
z
Allow runAsMainSing
l
eModule
t
o be
ca
l
led more than
.
.
.
commit
|
commitdiff
|
tree
2014-09-29
R
o
l
and
Schulz
Cl
a
rify GCC+Win+AVX
wa
r
nin
g
commit
|
commitdiff
|
tree
2014-09-29
Rola
n
d Sc
h
u
lz
M
erge release-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-09-23
Roland Schulz
Fix
ICC warnings
commit
|
commitdiff
|
tree
2014-09-22
Roland Schulz
Fix mes
s
age abo
u
t incorrect us
a
ge o
f
dihedral
t
ype
9
commit
|
commitdiff
|
tree
2014-09-21
Rola
n
d Schulz
Mer
g
e re
l
ease-5-0 into m
a
ster
commit
|
commitdiff
|
tree
2014-09-20
Roland Schulz
Minor perfor
m
ance imp
r
o
me
n
ts
commit
|
commitdiff
|
tree
2014-09-18
R
o
l
a
n
d Schulz
Fix
d
ouble
l
i
nkag
e
for
tests
commit
|
commitdiff
|
tree
2014-09-17
Roland
S
chulz
Add
missing qu
o
t
e
s
commit
|
commitdiff
|
tree
2014-09-17
Roland Schulz
Fix sha
r
ed libs for Mingw
commit
|
commitdiff
|
tree
2014-09-17
Roland Schulz
Merge release-
5
-0 into ma
s
t
er
commit
|
commitdiff
|
tree
2014-09-17
Roland Schulz
Remove no
-
inli
n
e-max-size a
n
d s
u
ppr
e
ss
rem
a
rk
commit
|
commitdiff
|
tree
2014-09-17
Rol
a
nd S
c
hul
z
Valgrind suppression for OS X 10
.
9
commit
|
commitdiff
|
tree
2014-09-16
Roland
Schul
z
Fix warning
s
for ICC 15
commit
|
commitdiff
|
tree
2014-09-14
R
oland Sc
h
u
lz
Remove un
n
e
c
essary
cppcheck include-
p
ath
commit
|
commitdiff
|
tree
2014-09-11
Ro
l
and Schulz
Fix sort
i
n
g
a
n
d dox
y
gen
commit
|
commitdiff
|
tree
2014-09-10
Roland Schulz
M
erge rele
a
s
e
-5
-
0
i
n
t
o
master
commit
|
commitdiff
|
tree
2014-09-07
Rolan
d
Schulz
R
e
mo
v
e some in
c
lude order dependencies
commit
|
commitdiff
|
tree
2014-09-07
Rol
a
n
d Schulz
Fix build for external b
o
ost 1
.
56
.
0
commit
|
commitdiff
|
tree
2014-09-07
Roland S
c
hulz
Simplify AVX integer
loa
d
/
s
tore
commit
|
commitdiff
|
tree
2014-09-05
Roland Schulz
Fix bu
i
ld
fo
r
external boost 1
.
5
6
.
0
commit
|
commitdiff
|
tree
2014-09-05
R
o
l
a
nd Schulz
Merge re
l
ease-5-0 i
n
to master
commit
|
commitdiff
|
tree
2014-09-04
Roland Sch
u
lz
Add Mingw warn
i
ngs
commit
|
commitdiff
|
tree
2014-09-04
Ro
l
an
d
Schulz
S
l
ight s
i
mpli
f
cation
o
f 2xnn
commit
|
commitdiff
|
tree
2014-09-03
R
ol
a
nd Schulz
Mer
g
e release-5-0 in
t
o ma
s
ter
commit
|
commitdiff
|
tree
2014-09-03
Rolan
d
Schulz
Fix MingW build
commit
|
commitdiff
|
tree
2014-09-03
Rolan
d
Sch
u
lz
F
i
x
that T
N
G tests wer
e
not run
commit
|
commitdiff
|
tree
2014-09-02
R
oland Schulz
Fix PR
I
NT_A
L
LO
C
_KB output
commit
|
commitdiff
|
tree
2014-08-25
Roland
Schulz
Merge release-5-
0
in
t
o
master
commit
|
commitdiff
|
tree
2014-08-20
Rol
a
nd Schulz
Ch
a
nge error to
w
arning for
missing OMP_NUM_THREADS
commit
|
commitdiff
|
tree
2014-08-18
Roland Schulz
F
i
x nbnxn te
m
plates
commit
|
commitdiff
|
tree
2014-08-18
Roland Schulz
Add Intel command line w
a
rni
n
g
commit
|
commitdiff
|
tree
2014-08-17
R
o
land S
c
h
ulz
Remove c
h
eck t
h
a
t
a
u
t
o-gene
r
a
ted files
exist
commit
|
commitdiff
|
tree
2014-08-17
R
o
l
a
nd Schulz
Don't build
t
ests
u
ntil
t
hey are run
commit
|
commitdiff
|
tree
2014-08-17
Roland Schu
l
z
Use full path for
l
egacy
h
ea
d
e
rs
commit
|
commitdiff
|
tree
2014-08-16
Rola
n
d Schulz
M
e
r
ge re
l
ease-5-0 into
ma
s
t
e
r
commit
|
commitdiff
|
tree
2014-08-11
Rol
a
nd
S
chulz
M
o
v
e some
v
erl
e
t
h
e
a
ders to m
d
l
ib
commit
|
commitdiff
|
tree
2014-08-10
Roland Schulz
Che
c
k MD5sum f
o
r r
e
gressiontest
commit
|
commitdiff
|
tree
2014-08-10
Roland Schulz
Merge release-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-08-05
Rolan
d
Schulz
Workaround for ICC 14
commit
|
commitdiff
|
tree
2014-07-31
Rol
a
nd S
c
hulz
Replace most s
t
rdup with gmx_s
t
rdup
commit
|
commitdiff
|
tree
2014-07-31
Rol
a
n
d Schulz
Me
r
ge
r
elease-
5
-0 into master
commit
|
commitdiff
|
tree
2014-07-28
Ro
l
a
nd Sch
u
lz
Me
r
ge "
M
erg
e
release-5-0 into master"
commit
|
commitdiff
|
tree
2014-07-28
Roland Sc
h
ulz
Merge rel
e
ase-5-0 into master
commit
|
commitdiff
|
tree
2014-07-28
Rol
a
nd
Schul
z
Fix bu
i
ld of
b
inary packa
g
e
commit
|
commitdiff
|
tree
2014-07-28
Ro
l
and Schulz
Add unit test fo
r
random/Threefry
commit
|
commitdiff
|
tree
2014-07-28
Roland
Sc
h
u
l
z
Remove Random123/f
e
a
tures
commit
|
commitdiff
|
tree
2014-07-27
Rola
n
d Sch
u
lz
Remove individual cuda
libraries
commit
|
commitdiff
|
tree
2014-07-27
Roland
Schulz
Remove memte
s
t
commit
|
commitdiff
|
tree
2014-07-25
Rol
a
nd
S
c
h
ulz
Workaround for I
C
C 14
bu
g
commit
|
commitdiff
|
tree
2014-07-24
R
o
land
S
chulz
Fix Cygwin+Sha
r
ed-Li
b
s+FFTW
commit
|
commitdiff
|
tree
2014-07-23
Roland Schul
z
Add support for i
n
t64 in refdata
commit
|
commitdiff
|
tree
2014-07-22
R
olan
d
Schulz
Fix G
M
X
_
BUILD_OWN_FFTW for
Cygwin
commit
|
commitdiff
|
tree
2014-07-21
Roland
S
c
hulz
Fix
G
MX_NO
N
BONDE
D
_
N
UM_THR
E
ADS!
=
GMX_PAIR
S
EARCH_
N
UM_THREA
D
S
commit
|
commitdiff
|
tree
2014-07-10
Roland S
c
hulz
Fix xml2
link
check r
e
run
commit
|
commitdiff
|
tree
2014-07-09
Rola
n
d Schulz
Add comments for
c
ode wit
h
race condition
commit
|
commitdiff
|
tree
2014-07-09
R
o
land Schulz
F
ix Cygwin build
commit
|
commitdiff
|
tree
2014-07-09
Rolan
d
Schulz
Remove all unn
e
cessa
r
y H
A
VE_CONFIG_H
commit
|
commitdiff
|
tree
2014-07-05
Roland Schulz
A
dd
run
n
i
n
g tests to
i
nstall
-
guide
commit
|
commitdiff
|
tree
2014-07-01
Rola
n
d
S
chulz
Add sup
p
ort for
i
nt64 in refdata
commit
|
commitdiff
|
tree
2014-06-29
Roland Schul
z
Merge
r
elease-4-6 into
r
elease-5-0
commit
|
commitdiff
|
tree
2014-06-29
Roland Schu
l
z
F
i
x detection
of i3
8
6 in tmpi
commit
|
commitdiff
|
tree
2014-06-29
Ro
l
a
n
d Schulz
Merge "Merge branch
'
release-4-6' into rel
e
ase-5-
0
.
.
.
commit
|
commitdiff
|
tree
2014-06-28
R
o
land
S
chulz
Fix er
r
or for no 64bit
f
ile support
commit
|
commitdiff
|
tree
2014-06-28
Rol
a
n
d
Schul
z
Merge r
e
lease-5-0 into master
commit
|
commitdiff
|
tree
2014-06-28
Roland Sc
h
ulz
Another Ma
c
O
S
X rpath
f
ix
commit
|
commitdiff
|
tree
2014-06-27
R
olan
d
Schulz
Merge release-4-6 i
n
to releas
e
-5-0
commit
|
commitdiff
|
tree
2014-06-27
Roland Schulz
Fix Phi Plat
f
orm file for MP
I
commit
|
commitdiff
|
tree
2014-06-26
Roland Schulz
Fix Visua
l
S
tudi
o
Proje
c
t b
u
ild
commit
|
commitdiff
|
tree
2014-06-26
Rol
a
nd Schulz
Merge
r
e
lease-4-6 into release-5-0
commit
|
commitdiff
|
tree
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