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Added pull potential flat-bottom-high
2014-08-17
Roland Schulz
U
s
e
f
ul
l
path for
legacyhe
a
de
r
s
commit
|
commitdiff
|
tree
2014-08-16
R
o
land S
c
hulz
Merge re
l
e
a
se-5-0 into ma
s
ter
commit
|
commitdiff
|
tree
2014-08-11
Roland Schulz
Mov
e
som
e
verlet hea
d
ers to
mdlib
commit
|
commitdiff
|
tree
2014-08-10
Roland
S
chulz
Check
MD5su
m
for r
e
gressiontest
commit
|
commitdiff
|
tree
2014-08-10
Ro
l
and
Schulz
M
erge r
e
lease-4-6 into release-
5
-0
commit
|
commitdiff
|
tree
2014-08-05
Rol
a
nd Schulz
W
orkarou
n
d for
ICC 1
4
commit
|
commitdiff
|
tree
2014-07-31
Rol
a
n
d
Schulz
R
eplac
e
most st
r
dup
w
ith g
m
x
_
strdup
commit
|
commitdiff
|
tree
2014-07-31
Roland
Schu
l
z
Merge rele
a
se-5-0 into maste
r
commit
|
commitdiff
|
tree
2014-07-28
Roland Schu
l
z
Merge "Me
r
ge release-5-0 i
n
to master"
commit
|
commitdiff
|
tree
2014-07-28
Roland Sch
u
lz
Merg
e
re
l
ease-5
-
0 into
mast
e
r
commit
|
commitdiff
|
tree
2014-07-28
Rolan
d
S
chulz
Fix
build of b
i
nary package
commit
|
commitdiff
|
tree
2014-07-28
Ro
l
and
Schulz
A
dd unit test for r
a
ndo
m
/T
h
reefr
y
commit
|
commitdiff
|
tree
2014-07-28
Rol
a
nd Schulz
Rem
o
ve Ran
d
o
m123/features
commit
|
commitdiff
|
tree
2014-07-27
Roland Schulz
R
emove
individual cuda lib
r
aries
commit
|
commitdiff
|
tree
2014-07-27
Roland
Schulz
Remove m
e
mtest
commit
|
commitdiff
|
tree
2014-07-25
Roland Schulz
Worka
r
ou
n
d
for I
C
C
14
bug
commit
|
commitdiff
|
tree
2014-07-24
Roland Schulz
Fix C
y
gwin+Shared-Libs+FFTW
commit
|
commitdiff
|
tree
2014-07-23
Roland
S
chul
z
Add support fo
r
int64
in refdata
commit
|
commitdiff
|
tree
2014-07-22
R
ola
n
d Sc
h
ulz
Fix G
M
X_
B
U
I
LD
_
O
W
N_FFTW for Cygwin
commit
|
commitdiff
|
tree
2014-07-21
Rolan
d
Schul
z
Fix GM
X
_
NONB
O
NDED_NUM_THREADS!=G
M
X_
P
A
I
RSEARCH_NUM_T
H
REA
D
S
commit
|
commitdiff
|
tree
2014-07-10
Roland
Schulz
F
ix xml2 link
c
heck
r
erun
commit
|
commitdiff
|
tree
2014-07-09
Roland Sch
u
lz
Add comments for cod
e
with ra
c
e
condit
i
on
commit
|
commitdiff
|
tree
2014-07-09
Roland Schulz
Fix Cygw
i
n
build
commit
|
commitdiff
|
tree
2014-07-09
R
oland Schu
l
z
R
e
m
o
ve
all unn
e
cessary H
A
VE_CONFIG_H
commit
|
commitdiff
|
tree
2014-07-05
Roland Schulz
Add ru
n
ning tes
t
s to install-guide
commit
|
commitdiff
|
tree
2014-07-01
Rolan
d
Schulz
Add
s
upport for int64
i
n
refdata
commit
|
commitdiff
|
tree
2014-06-29
Rol
a
nd Schulz
Merge release-4-6 into release
-
5-0
commit
|
commitdiff
|
tree
2014-06-29
Roland Sch
u
lz
Fix d
e
t
e
cti
o
n
of i386 in tmpi
commit
|
commitdiff
|
tree
2014-06-29
Ro
l
and Schulz
Merge "Merge
b
ra
n
ch 'release-4-6' into
r
e
lease-5-0
.
.
.
commit
|
commitdiff
|
tree
2014-06-28
Rola
n
d Schulz
F
i
x er
r
or fo
r
n
o
6
4bit file
su
p
port
commit
|
commitdiff
|
tree
2014-06-28
Rola
n
d
S
c
hulz
Me
r
ge r
e
l
ease-5-0 i
n
t
o
master
commit
|
commitdiff
|
tree
2014-06-28
Roland Schulz
Ano
t
her MacOSX rpath fix
commit
|
commitdiff
|
tree
2014-06-27
Ro
l
and Schulz
Mer
g
e rele
a
se
-
4-6 int
o
release-5-0
commit
|
commitdiff
|
tree
2014-06-27
Roland Sch
u
lz
Fix Ph
i
Platf
o
rm file for
M
PI
commit
|
commitdiff
|
tree
2014-06-26
Roland
Schulz
Fix Visual Studio Pr
o
ject build
commit
|
commitdiff
|
tree
2014-06-26
Roland Schu
l
z
Merge release-4-6 int
o
release
-
5-0
commit
|
commitdiff
|
tree
2014-06-26
R
oland Sc
h
u
lz
Fix
M
acOSX rpat
h
commit
|
commitdiff
|
tree
2014-06-20
Roland
S
chulz
Fix t
h
at seeking w
a
s wron
g
if f
r
ame time was
m
odified
commit
|
commitdiff
|
tree
2014-06-19
Roland Schulz
Fix
r
e
f
error in c
o
nstraint pull code
commit
|
commitdiff
|
tree
2014-06-19
Roland Schulz
Mer
g
e
r
elease-5-0 into master
commit
|
commitdiff
|
tree
2014-06-19
Roland Schulz
D
isable maybe-un
i
nitialized warni
n
g
commit
|
commitdiff
|
tree
2014-06-18
Roland Schulz
Add ASAN build configurati
o
n
commit
|
commitdiff
|
tree
2014-06-18
Roland S
c
hulz
M
e
rge release
-
5-0 into master
commit
|
commitdiff
|
tree
2014-06-17
Roland
S
chu
l
z
Fix that
s
kipp
i
ng fails if target is 2nd fra
m
e
commit
|
commitdiff
|
tree
2014-06-13
Roland
Sc
h
ulz
Make nb
n
xn template a
n
d generate
d
files match
commit
|
commitdiff
|
tree
2014-06-03
Rol
a
nd Schulz
Me
r
ge r
e
l
ease
-
5-0 into
maste
r
commit
|
commitdiff
|
tree
2014-05-27
Rol
a
nd Sch
u
lz
Merge release
-
5-0 into mast
e
r
commit
|
commitdiff
|
tree
2014-05-27
Rola
n
d
Schulz
Merge
release-4-6 into rel
e
a
se
-
5-0
commit
|
commitdiff
|
tree
2014-05-22
Roland Schul
z
Fix memory i
s
su
e
in solva
t
e
commit
|
commitdiff
|
tree
2014-05-22
Roland Schul
z
Add ASAN
b
uild
configuration
commit
|
commitdiff
|
tree
2014-05-17
Rol
a
nd Schu
l
z
Clean-up
gmx_eof
commit
|
commitdiff
|
tree
2014-05-14
Roland Sc
h
ulz
Merge "Merge release-
5
-
0 into
master"
commit
|
commitdiff
|
tree
2014-05-10
R
oland Sc
h
ulz
Merge re
l
ease-5-0
in
t
o master
commit
|
commitdiff
|
tree
2014-05-10
Roland
Schul
z
Merge release-4-6 in
t
o rel
e
ase-5-0
commit
|
commitdiff
|
tree
2014-05-09
Roland
S
chulz
Fi
x
comparison of array
to NU
L
L
commit
|
commitdiff
|
tree
2014-05-09
R
oland Schulz
Merge "Merge branch
re
l
ease-4
-
6 into
r
eleas
e
-5-0" i
n
to
.
.
.
commit
|
commitdiff
|
tree
2014-05-09
Roland Schulz
Fix
OpenMP scope
error
commit
|
commitdiff
|
tree
2014-05-09
Roland Schulz
F
i
x GCC
4
.
9
warn
i
n
g
s
commit
|
commitdiff
|
tree
2014-05-09
R
o
l
and
S
c
hulz
Fix OpenMP unproteced up
d
ate bug
commit
|
commitdiff
|
tree
2014-05-09
Roland Schulz
Fix GCC 4
.
8 warnings
commit
|
commitdiff
|
tree
2014-04-30
Roland Schulz
Fix u
s
age
o
f
g
m
x_eof
commit
|
commitdiff
|
tree
2014-04-28
Roland Schulz
Reduced us
a
g
e of typ
d
e
fs
.
h
commit
|
commitdiff
|
tree
2014-04-27
Roland
S
ch
u
lz
F
i
x cppcheck 1
.
64
warnings
commit
|
commitdiff
|
tree
2014-04-22
Roland S
c
hulz
Fix memory error in
a
sc format IO
commit
|
commitdiff
|
tree
2014-04-20
Roland Schulz
Move par
t
of
m
acros
.
h to
g
rompp-impl
.
h
commit
|
commitdiff
|
tree
2014-04-16
R
oland Schulz
Me
r
ge
release-
5
-0 into master
commit
|
commitdiff
|
tree
2014-04-16
Roland Schu
l
z
Fi
x
whi
t
es
p
ace
commit
|
commitdiff
|
tree
2014-04-14
Roland Schulz
I
m
prove langu
a
ge cho
i
ce
commit
|
commitdiff
|
tree
2014-04-02
R
oland Sc
h
ulz
A
dd doc for spec
.
values of
G
MX_MAXBACK
U
P
commit
|
commitdiff
|
tree
2014-03-31
Roland Schulz
Disable shared libr
a
ries by defaul
t
for mdrun-on
l
y
commit
|
commitdiff
|
tree
2014-03-18
Roland Schulz
Fix depend
e
ncie
s
on config
.
h fo
r
ty
p
ed
e
f
s
.
h
commit
|
commitdiff
|
tree
2014-03-11
R
o
land S
c
hulz
Simplify
g
mxTestLib
X
ml2
commit
|
commitdiff
|
tree
2014-03-11
Roland Schulz
Don't di
s
ab
l
e
MSVC warnings in
c
o
nfig
.
h
commit
|
commitdiff
|
tree
2014-03-11
Roland S
c
hulz
F
i
x CheckCXX
C
ompilerFlag
commit
|
commitdiff
|
tree
2014-03-11
R
o
land Schulz
Re
p
lac
e
inline
w
i
t
h gmx_inline
commit
|
commitdiff
|
tree
2014-03-06
Rol
a
nd Schulz
Remove KE
R
NEL_WIDTH
commit
|
commitdiff
|
tree
2014-03-06
Roland S
c
hulz
Use
g
mx_int64_
t
for gmx_off_t
commit
|
commitdiff
|
tree
2014-03-05
Roland Schulz
Add Rel
W
ithA
s
s
ert build type
commit
|
commitdiff
|
tree
2014-03-05
Roland Schulz
Remove dep
e
ndenc
y
on
T
NG in trx
i
o
.
h
commit
|
commitdiff
|
tree
2014-03-05
R
o
land Schulz
R
e
p
o
r
t
M
I
C S
I
MD correctly
commit
|
commitdiff
|
tree
2014-03-05
Roland Schu
l
z
Ch
e
ck
z
lib can ac
t
u
ally be
linked
commit
|
commitdiff
|
tree
2014-03-05
R
o
land Schulz
A
v
oid segf
a
ult
when comparing tpr
commit
|
commitdiff
|
tree
2014-03-03
Roland Schulz
Merge release-4-6 into
m
a
ster
commit
|
commitdiff
|
tree
2014-02-26
Rol
a
nd Schul
z
Remov
e
Cygwin+Mi
n
g
W
fr
o
m install
g
uide
commit
|
commitdiff
|
tree
2014-02-26
Roland Schul
z
ICC a
l
iasing op
t
imizatio
n
flags
commit
|
commitdiff
|
tree
2014-02-26
Rola
n
d Schu
l
z
Use
reduce
i
n
pme
commit
|
commitdiff
|
tree
2014-02-26
Roland Sc
h
ulz
Replac
e
all
mdrun
r
n
gs with cycle based rng
commit
|
commitdiff
|
tree
2014-02-21
Roland Schulz
Fix loa
d
_lj_pair_params2 f
o
r MIC
commit
|
commitdiff
|
tree
2014-02-21
Roland Schulz
U
p
d
a
ted Boost to l
a
test 1
.
55
.
0
commit
|
commitdiff
|
tree
2014-02-21
Roland
Schulz
M
e
rge "Merge release-4-6
i
nto maste
r
"
commit
|
commitdiff
|
tree
2014-02-21
Ro
l
and
Schulz
Merge release-4-6
into ma
s
ter
commit
|
commitdiff
|
tree
2014-02-20
R
oland Schulz
Fix aligned st
o
re
to unaligned memory
commit
|
commitdiff
|
tree
2014-02-20
R
oland Schulz
Fix
Reference Build
commit
|
commitdiff
|
tree
2014-02-17
Roland
S
chulz
Enab
l
e mor
e
warnings
commit
|
commitdiff
|
tree
2014-02-06
R
o
land Schulz
U
se random se
e
ds by defaul
t
commit
|
commitdiff
|
tree
2014-02-04
Roland
Schul
z
Fix and
s
implif
y
r
pat
h
commit
|
commitdiff
|
tree
2014-02-02
Roland Schu
l
z
Merge relea
s
e-
4
-6 into maste
r
commit
|
commitdiff
|
tree
2014-01-30
Roland Schulz
Add cmake
o
ption for Reference ker
n
el
commit
|
commitdiff
|
tree
2014-01-30
Roland Schulz
Allocate memory for MD5 on heap
commit
|
commitdiff
|
tree
2014-01-29
R
o
land Schulz
Unc
r
us
t
ify all files
commit
|
commitdiff
|
tree
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