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Remove gmx::File (except for File::exists())
2015-06-28
Roland
S
c
h
u
l
z
Remo
v
e
u
n
u
sed cmake files
commit
|
commitdiff
|
tree
2015-06-28
Roland
S
chulz
Don't use c
h
eck_library for libm
commit
|
commitdiff
|
tree
2015-06-25
Roland Schulz
Fix
Wundef warnings
commit
|
commitdiff
|
tree
2015-06-22
Roland Schulz
Fix
G
MX_ALIGNMENT for MSVC 2012 and 20
1
3
commit
|
commitdiff
|
tree
2015-06-22
Roland
Sch
u
lz
Fix c
m
ake 3
.
1 warnings with MS
V
C
commit
|
commitdiff
|
tree
2015-06-19
Roland Schulz
Fix
miss
i
ng in
c
lude
commit
|
commitdiff
|
tree
2015-06-16
Rola
n
d
Schulz
Fi
x
warning in uncrustify
commit
|
commitdiff
|
tree
2015-06-16
Roland Sc
h
ulz
Fix
c
onsts in bon
d
ed
and clincs
commit
|
commitdiff
|
tree
2015-06-06
Rolan
d
Sch
u
lz
U
se stat to check
t
hat pat
h
s are equivalent
commit
|
commitdiff
|
tree
2015-06-05
Roland Schulz
Mer
g
e re
l
ea
s
e-5-0 int
o
master
commit
|
commitdiff
|
tree
2015-06-05
Roland Schulz
Reenable
l
inc
s
/bon
d
ed
SIMD for ICC on W
i
ndow
s
commit
|
commitdiff
|
tree
2015-06-03
Roland Schulz
Use stack buffer f
o
r LINCS&bonded g
a
ther/scatter
commit
|
commitdiff
|
tree
2015-05-30
R
o
la
n
d
S
chulz
W
ork-around for ICC
15 o
n
Phi
commit
|
commitdiff
|
tree
2015-05-26
R
o
l
a
nd Sch
u
lz
Don't se
t
CFLA
G
S f
o
r Phi in toolchain
commit
|
commitdiff
|
tree
2015-05-13
Rolan
d
Schulz
Facil
i
ta
t
e
linking of static
b
inar
i
es
commit
|
commitdiff
|
tree
2015-03-17
Ro
l
and Schulz
Fi
x
linking wi
t
h s
t
atic li
b
xml
2
commit
|
commitdiff
|
tree
2015-03-04
Roland Schulz
Fix GCC5
w
a
rnings
commit
|
commitdiff
|
tree
2015-03-03
Rol
a
nd
S
chulz
nbn
x
n utils per
f
o
r
manc
e
imp
r
ovement
f
or Phi
commit
|
commitdiff
|
tree
2015-03-02
R
o
l
and Sc
h
u
l
z
Don't se
a
r
ch installation prefix i
f
bin
a
ry is not fou
n
d
commit
|
commitdiff
|
tree
2015-02-25
R
o
land Schul
z
C++ conversio
n
f
o
r PME spread/gath
e
r
commit
|
commitdiff
|
tree
2015-02-12
Rola
n
d
S
chulz
Merge
r
e
l
ease-5-0 int
o
master
commit
|
commitdiff
|
tree
2015-02-12
Roland Schulz
Me
r
ge rel
e
ase-4-6 into r
e
l
ease-5-0
commit
|
commitdiff
|
tree
2015-02-10
R
oland Sc
h
ulz
Don't s
e
t CFLAGS for P
h
i in to
o
lchain
commit
|
commitdiff
|
tree
2015-02-10
Roland Schulz
Work-aro
u
nd for
I
C
C 15 on Phi
commit
|
commitdiff
|
tree
2015-02-07
Roland Sc
h
ulz
Make FindBoost quite
commit
|
commitdiff
|
tree
2015-02-02
Rola
n
d Sch
u
lz
Fi
x
FP except
i
on in FE
commit
|
commitdiff
|
tree
2015-01-27
Roland
Schul
z
Workaround for Memo
r
ySanitize
r
commit
|
commitdiff
|
tree
2015-01-27
Rolan
d
Schulz
Fix unitl
i
zed memo
r
y read in check
p
o
i
nt
commit
|
commitdiff
|
tree
2015-01-05
Ro
l
and Schulz
Enable fp-exc
e
ptions
commit
|
commitdiff
|
tree
2014-12-18
R
o
land Schulz
Fix
C
M
P
0054 c
m
ake 3
.
1
.
0
war
n
ings
commit
|
commitdiff
|
tree
2014-12-17
Roland Sc
h
ulz
Merge
"Merge br
a
nch 'release-5
-
0'"
commit
|
commitdiff
|
tree
2014-12-17
Ro
l
and S
c
hulz
F
i
x cppcheck-1
.
67 warni
n
g
s
commit
|
commitdiff
|
tree
2014-12-15
Roland Sch
u
l
z
Fix NV
M
L
detection on Windows
commit
|
commitdiff
|
tree
2014-12-13
R
ol
a
nd Schulz
Use
b
itmask
f
o
r
bonded
commit
|
commitdiff
|
tree
2014-12-07
R
o
land Schulz
M
erge release-5-0 into master
commit
|
commitdiff
|
tree
2014-11-26
Rola
n
d Schulz
Fix
c
lang with boost 1
.
46
.
1
a
n
d 1
.
47
commit
|
commitdiff
|
tree
2014-11-26
Rolan
d
Schulz
M
erg
e
rel
e
as
e
-
5
-0 into mast
e
r
commit
|
commitdiff
|
tree
2014-11-23
Roland
S
chulz
Set GMX_SIMD to MI
C
for X
e
on Ph
i
commit
|
commitdiff
|
tree
2014-11-12
Rol
a
nd Schulz
U
s
e stat to check that
p
aths are eq
u
ivalent
commit
|
commitdiff
|
tree
2014-11-12
Rolan
d
Schu
l
z
Add bitmask type
commit
|
commitdiff
|
tree
2014-11-09
Rola
n
d S
c
h
u
lz
Ba
c
kport v
a
lgrind s
u
pp
r
ession
commit
|
commitdiff
|
tree
2014-11-09
Rola
n
d Schulz
F
i
x CMP0054 cmak
e
3
.
1
.
0 warnings
commit
|
commitdiff
|
tree
2014-11-05
Roland Schulz
M
inor update of
b
oost README
commit
|
commitdiff
|
tree
2014-10-30
Roland Schulz
Merg
e
"Merge rele
a
se-5-0 into maste
r
"
commit
|
commitdiff
|
tree
2014-10-26
Roland
S
chulz
Add
Windows s
u
p
p
o
r
t
f
or host-/username
commit
|
commitdiff
|
tree
2014-10-22
Roland S
c
hulz
Remov
e
Catamou
n
t cmake
commit
|
commitdiff
|
tree
2014-10-21
Ro
l
a
nd S
c
hul
z
F
ix C
+
+1
1
flags for Mi
n
gW
commit
|
commitdiff
|
tree
2014-10-20
Rolan
d
S
chulz
Cr
e
ate scoped_cptr to r
e
place sco
p
e
d
_ptr_
s
f
r
e
e
commit
|
commitdiff
|
tree
2014-10-20
Roland Schul
z
Used
I
WYU to partial
l
y cl
e
a
n
up some includes
commit
|
commitdiff
|
tree
2014-10-12
R
oland Schulz
Fix misidentifi
c
at
i
on of d
o
t in path name
commit
|
commitdiff
|
tree
2014-10-05
Roland S
c
hulz
A
llow runAsMainS
i
ngleModule
to
b
e
c
alled more than
.
.
.
commit
|
commitdiff
|
tree
2014-09-29
Roland Schulz
Clarify GCC+Win+AVX war
n
i
ng
commit
|
commitdiff
|
tree
2014-09-29
Roland Schulz
M
erge r
e
lease-4
-
6
into rele
a
se-5
-
0
commit
|
commitdiff
|
tree
2014-09-23
Roland
Schulz
F
ix ICC warnings
commit
|
commitdiff
|
tree
2014-09-22
Rola
n
d Schulz
Fix message about
i
nco
r
rec
t
usage
o
f dihedral type 9
commit
|
commitdiff
|
tree
2014-09-21
Roland Sch
u
lz
Merge rel
e
a
s
e-5-0 into master
commit
|
commitdiff
|
tree
2014-09-20
Roland Schulz
Min
o
r perfor
m
a
n
c
e
improments
commit
|
commitdiff
|
tree
2014-09-18
Roland
S
chulz
F
ix double
l
inkage
for tests
commit
|
commitdiff
|
tree
2014-09-17
R
o
land Schulz
Add missing quotes
commit
|
commitdiff
|
tree
2014-09-17
Roland Schulz
Fix
shared libs for Mingw
commit
|
commitdiff
|
tree
2014-09-17
Roland
S
chulz
M
e
r
ge
release
-
5
-
0 into maste
r
commit
|
commitdiff
|
tree
2014-09-17
R
o
l
and Schulz
Remove no-inline-max
-
size and sup
p
ress remark
commit
|
commitdiff
|
tree
2014-09-17
Roland Schulz
Valgrind sup
p
re
s
sion for O
S
X 1
0
.
9
commit
|
commitdiff
|
tree
2014-09-16
Roland
S
c
hu
l
z
Fix warnings for ICC 15
commit
|
commitdiff
|
tree
2014-09-14
Roland S
c
hul
z
Remove unnecessary cppcheck include-p
a
t
h
commit
|
commitdiff
|
tree
2014-09-11
Roland Schulz
Fix sorti
n
g
a
nd doxy
g
en
commit
|
commitdiff
|
tree
2014-09-10
Roland Schulz
Mer
g
e r
e
l
ease
-
5-
0
int
o
m
as
t
er
commit
|
commitdiff
|
tree
2014-09-07
Roland Schu
l
z
Remo
v
e some include order depende
n
cie
s
commit
|
commitdiff
|
tree
2014-09-07
Rola
n
d Sch
u
l
z
Fix build
f
o
r external boost 1
.
56
.
0
commit
|
commitdiff
|
tree
2014-09-07
Roland
S
c
hulz
Simplify AVX integer load/store
commit
|
commitdiff
|
tree
2014-09-05
Roland S
c
hulz
Fix
b
uild for ex
t
er
n
al boost 1
.
56
.
0
commit
|
commitdiff
|
tree
2014-09-05
Rola
n
d Sc
h
ulz
Mer
g
e
release-5-0 into ma
s
ter
commit
|
commitdiff
|
tree
2014-09-04
Roland
Schulz
Add Mingw war
n
in
g
s
commit
|
commitdiff
|
tree
2014-09-04
Ro
l
and Schulz
Sli
g
ht simplifcation of 2xnn
commit
|
commitdiff
|
tree
2014-09-03
R
o
land Schulz
Merge relea
s
e
-
5
-
0
into master
commit
|
commitdiff
|
tree
2014-09-03
Rolan
d
Sch
u
l
z
F
i
x MingW build
commit
|
commitdiff
|
tree
2014-09-03
Roland
S
chu
l
z
F
i
x that TNG tests were no
t
run
commit
|
commitdiff
|
tree
2014-09-02
Roland Schu
l
z
Fix PR
I
NT_ALLOC_KB o
u
tput
commit
|
commitdiff
|
tree
2014-08-25
Roland
Schulz
Merg
e
release-5-0
into master
commit
|
commitdiff
|
tree
2014-08-20
Roland
Sc
h
ulz
Change error
t
o warning for missin
g
OMP_NUM_THREADS
commit
|
commitdiff
|
tree
2014-08-18
Ro
l
and
S
chulz
Fix nbnxn
tem
p
lates
commit
|
commitdiff
|
tree
2014-08-18
Roland Schulz
Add Intel command
line war
n
ing
commit
|
commitdiff
|
tree
2014-08-17
Roland Sc
h
ulz
Remove check
th
a
t auto-gene
r
ated
files
e
x
i
s
t
commit
|
commitdiff
|
tree
2014-08-17
R
oland Schul
z
Don't
build tests unti
l
they a
r
e r
u
n
commit
|
commitdiff
|
tree
2014-08-17
Roland
S
c
hulz
Use full path for
l
egacyheaders
commit
|
commitdiff
|
tree
2014-08-16
Ro
l
and Sc
h
ulz
Me
r
ge releas
e
-
5
-0 into master
commit
|
commitdiff
|
tree
2014-08-11
Roland Schu
l
z
Move some verlet hea
d
ers to mdl
i
b
commit
|
commitdiff
|
tree
2014-08-10
Roland Schu
l
z
Che
c
k MD5sum
f
or regressio
n
t
est
commit
|
commitdiff
|
tree
2014-08-10
Roland Schulz
M
erge release-4-6
in
t
o re
l
ea
s
e-5-
0
commit
|
commitdiff
|
tree
2014-08-05
Roland Sch
u
l
z
W
orkaround for ICC 14
commit
|
commitdiff
|
tree
2014-07-31
Roland
Schulz
Replace
m
ost st
r
dup with gmx_strdup
commit
|
commitdiff
|
tree
2014-07-31
Rol
a
nd Schulz
Merge rel
e
ase
-
5-0 into
master
commit
|
commitdiff
|
tree
2014-07-28
Ro
l
and Schulz
M
e
rge "
M
erge release-5-0 into master"
commit
|
commitdiff
|
tree
2014-07-28
Ro
l
and Schulz
Merge relea
s
e-
5
-
0
int
o
maste
r
commit
|
commitdiff
|
tree
2014-07-28
Rola
n
d Schulz
F
ix bu
i
ld of bina
r
y pac
k
age
commit
|
commitdiff
|
tree
2014-07-28
R
oland Schu
l
z
Add uni
t
test fo
r
random/Threefry
commit
|
commitdiff
|
tree
2014-07-28
Roland Schu
l
z
Remove
R
ando
m
123/features
commit
|
commitdiff
|
tree
2014-07-27
Rolan
d
S
chulz
Remove indi
v
idua
l
c
u
da libraries
commit
|
commitdiff
|
tree
2014-07-27
Rol
a
nd Schulz
Remove memtest
commit
|
commitdiff
|
tree
2014-07-25
Roland Sc
h
u
l
z
Wor
k
arou
n
d for ICC 14
b
u
g
commit
|
commitdiff
|
tree
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