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Change initial parameters for testing expfit.
2015-07-31
D
avid van der S
p
oe
l
Change initial parameter
s
for t
e
sting
e
x
pfit
.
commit
|
commitdiff
|
tree
2015-07-18
Teem
u
Mu
r
tola
Move O
p
tions
:
:
s
et
D
esc
r
ipt
i
o
n()
elsewhere
commit
|
commitdiff
|
tree
2015-07-11
Roland Schulz
Up
d
ate kerne
l
t
empla
t
e
s
to
match k
e
r
n
els
commit
|
commitdiff
|
tree
2015-07-09
Ro
l
and Schulz
New quo
t
es
commit
|
commitdiff
|
tree
2015-07-08
Roland Schulz
Merge re
l
eas
e
-5-1
i
nto master
commit
|
commitdiff
|
tree
2015-07-08
Roland Schulz
Merge relea
s
e-
5
-0
into rel
e
ase-5-1
commit
|
commitdiff
|
tree
2015-07-08
Rola
n
d
Schulz
Merge release-
4
-6 into release-5-0
commit
|
commitdiff
|
tree
2015-06-19
Rola
n
d Sc
h
ulz
Fix mi
s
sing include
commit
|
commitdiff
|
tree
2015-06-16
Roland
S
chulz
Fix co
n
sts in bonded a
n
d
c
lincs
commit
|
commitdiff
|
tree
2015-06-14
Berk
H
ess
Refactored mdrun resource divisio
n
commit
|
commitdiff
|
tree
2015-06-12
Teemu Mur
t
ola
Extend
s
o
urce layout des
c
ription i
n
d
e
v
guide
commit
|
commitdiff
|
tree
2015-06-05
Roland
S
chulz
Merge rel
e
a
s
e-5-0 into master
commit
|
commitdiff
|
tree
2015-05-30
Roland Schulz
W
o
r
k-a
r
o
und
f
or ICC 15 on Phi
commit
|
commitdiff
|
tree
2015-05-26
Roland Sc
h
ulz
Don't
s
et
C
FLAGS
for Phi
in toolchain
commit
|
commitdiff
|
tree
2015-03-17
R
o
land Schul
z
F
ix linking
w
ith s
t
atic
l
i
b
xml2
commit
|
commitdiff
|
tree
2015-02-13
T
e
emu Mur
t
o
l
a
Generate man pages thro
u
gh Sp
h
inx
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Re
p
lace
t
o
o
l HTML he
l
p with Sphinx-g
e
nerated
docs
commit
|
commitdiff
|
tree
2015-02-12
R
olan
d
Schulz
Merge rel
e
ase-5-0 i
n
to
m
aster
commit
|
commitdiff
|
tree
2015-02-12
Rolan
d
Schulz
Merg
e
release-4-6 into r
e
lease-5-0
commit
|
commitdiff
|
tree
2015-01-27
Roland Sc
h
ulz
Workaround for MemoryS
a
nitizer
commit
|
commitdiff
|
tree
2015-01-27
Roland Schulz
Fix unitlized memory rea
d
in ch
e
ckp
o
int
commit
|
commitdiff
|
tree
2014-12-18
Roland Schulz
Fix C
M
P0054 cmake
3
.
1
.
0
w
ar
n
ings
commit
|
commitdiff
|
tree
2014-12-12
Mark Abraham
Add StringFo
r
matter
a
n
d formatAndJoin t
o
stringutil
commit
|
commitdiff
|
tree
2014-12-07
Rolan
d
Schulz
Merg
e
release-5-
0
into m
a
ster
commit
|
commitdiff
|
tree
2014-11-26
R
o
l
and Schulz
Fix
c
lang with boost 1
.
4
6
.
1
a
nd 1
.
47
commit
|
commitdiff
|
tree
2014-11-09
Vive
c
a Linda
h
l
F
ixed typo in cm
a
k
e
warning
.
commit
|
commitdiff
|
tree
2014-11-09
Roland
S
chul
z
Backport valgrind supp
r
e
s
sion
commit
|
commitdiff
|
tree
2014-11-05
Rola
n
d Sch
u
lz
M
inor up
d
ate of
b
oost
R
E
ADM
E
commit
|
commitdiff
|
tree
2014-10-20
Rola
n
d S
c
h
u
l
z
U
s
ed IWYU to part
i
a
lly clean u
p
s
o
me includes
commit
|
commitdiff
|
tree
2014-10-11
T
e
emu Murtola
Clea
n
up gmx
insert-
m
olecules
commit
|
commitdiff
|
tree
2014-10-11
Teemu Mu
r
tola
Make 'gmx insert-molecul
e
s
'
tes
t
s
test outp
u
t
commit
|
commitdiff
|
tree
2014-09-29
Roland Schul
z
M
e
rge release-4-6 into release
-
5-0
commit
|
commitdiff
|
tree
2014-09-22
Rolan
d
Schul
z
F
ix messa
g
e abou
t
inco
r
rect usage of dihedral type 9
commit
|
commitdiff
|
tree
2014-09-21
Roland
S
chulz
Merge release
-
5
-
0 int
o
m
aster
commit
|
commitdiff
|
tree
2014-09-17
Roland
S
chulz
Merge rel
e
ase-5-0 int
o
master
commit
|
commitdiff
|
tree
2014-09-17
Roland
S
chulz
Rem
o
ve
n
o-inli
n
e-max-
s
ize a
n
d
s
uppress remark
commit
|
commitdiff
|
tree
2014-09-17
R
oland Schulz
Va
l
grind suppression
f
o
r
O
S
X 10
.
9
commit
|
commitdiff
|
tree
2014-09-14
Roland Schulz
R
e
m
o
ve unnecessary
c
ppcheck include
-
path
commit
|
commitdiff
|
tree
2014-09-10
Roland Schulz
Merge release-5-
0
i
n
to ma
s
ter
commit
|
commitdiff
|
tree
2014-09-05
Rolan
d
Sc
h
u
lz
Fix
b
uild for ex
t
ern
a
l
b
o
o
s
t 1
.
56
.
0
commit
|
commitdiff
|
tree
2014-09-05
Ro
l
a
n
d
Schulz
Merge re
l
ease-5-0
into master
commit
|
commitdiff
|
tree
2014-09-03
Roland Schulz
M
e
rge r
e
lease-5-0 in
t
o
master
commit
|
commitdiff
|
tree
2014-09-03
R
o
la
n
d Sc
h
ulz
Fix
Mi
n
gW build
commit
|
commitdiff
|
tree
2014-08-29
M
ark
A
braham
M
e
rge branch release-4-6 into releas
e
-5-0
commit
|
commitdiff
|
tree
2014-08-25
R
oland Schulz
Merge releas
e
-
5-0 into m
a
ster
commit
|
commitdiff
|
tree
2014-08-24
Tee
m
u Murtola
Precalculate
p
bc
shift for analysis nbsearch
commit
|
commitdiff
|
tree
2014-08-18
Rol
a
nd Schulz
Fix nbnxn templates
commit
|
commitdiff
|
tree
2014-08-18
Roland Sch
u
lz
Add
In
t
el command line w
a
rning
commit
|
commitdiff
|
tree
2014-08-16
Rola
n
d S
c
hulz
Merge r
e
lea
s
e-5-0 into master
commit
|
commitdiff
|
tree
2014-07-31
Roland Schulz
Merge rele
a
se-5-
0
i
n
to master
commit
|
commitdiff
|
tree
2014-07-28
Roland Schulz
Me
r
ge release-5-
0
into master
commit
|
commitdiff
|
tree
2014-07-23
Rol
a
nd Schulz
Add support for i
n
t
6
4
in refda
t
a
commit
|
commitdiff
|
tree
2014-07-22
Roland Schulz
Fix G
M
X
_
BUILD_OW
N
_FFTW for Cygwin
commit
|
commitdiff
|
tree
2014-07-10
R
o
la
n
d Sch
u
lz
Fix x
m
l2
link chec
k
rerun
commit
|
commitdiff
|
tree
2014-07-09
Mark Ab
r
aha
m
Name the tarball how we like
i
t
commit
|
commitdiff
|
tree
2014-07-01
R
o
land Schulz
Add s
u
p
p
ort for
int64 in refdata
commit
|
commitdiff
|
tree
2014-06-29
Roland Schulz
M
e
rge rel
e
ase-4-6 into relea
s
e-5-0
commit
|
commitdiff
|
tree
2014-06-28
Ro
l
and Schul
z
Merge release-5-0 into
m
aster
commit
|
commitdiff
|
tree
2014-06-28
Ro
l
and Schulz
Ano
t
her MacO
S
X r
p
a
t
h fix
commit
|
commitdiff
|
tree
2014-06-27
Rola
n
d S
c
h
u
lz
M
e
r
ge release-4-6 into rele
a
se-5-0
commit
|
commitdiff
|
tree
2014-06-26
Roland Schul
z
Fix Visual
Studio Projec
t
b
uild
commit
|
commitdiff
|
tree
2014-06-26
Roland Schulz
Fix MacOSX rpath
commit
|
commitdiff
|
tree
2014-06-22
Ross
e
n Apost
o
lov
More clear
m
essage for unde
f
ine
d
pullgroup
s
.
commit
|
commitdiff
|
tree
2014-06-20
Roland Schu
l
z
Fix tha
t
s
eekin
g
was wrong if
frame time
w
a
s
mo
d
ified
commit
|
commitdiff
|
tree
2014-06-19
Roland Schulz
Merg
e
rele
a
s
e
-5-0
i
n
to mas
t
er
commit
|
commitdiff
|
tree
2014-06-19
Roland Schulz
Disab
l
e maybe-un
i
niti
a
lized warning
commit
|
commitdiff
|
tree
2014-06-18
Rolan
d
Schulz
Add AS
A
N
b
uild configuration
commit
|
commitdiff
|
tree
2014-06-18
Rol
a
nd Schulz
Mer
g
e release-5-0 into
m
aster
commit
|
commitdiff
|
tree
2014-06-07
David van der Spo
e
l
M
e
rge release-5-0
i
n
t
o
m
aster
commit
|
commitdiff
|
tree
2014-06-06
Mark
A
braham
M
e
rge r
e
lease-
4
-6 into release-5
-
0
commit
|
commitdiff
|
tree
2014-06-03
Roland Sc
h
u
l
z
Merg
e
rele
a
s
e
-5-0
into
m
ast
e
r
commit
|
commitdiff
|
tree
2014-05-27
Roland Sch
u
l
z
Merge release-5-0 into maste
r
commit
|
commitdiff
|
tree
2014-05-24
T
eemu Murtola
Move types/atoms
.
h to topology
/
commit
|
commitdiff
|
tree
2014-05-24
T
e
emu
Murtola
M
ove types/ishift
.
h
t
o pbcuti
l
/
commit
|
commitdiff
|
tree
2014-05-24
Teem
u
Murto
l
a
Move invblock
.
* to topo
l
ogy/
commit
|
commitdiff
|
tree
2014-05-24
Teemu Murtola
Move types/blo
c
k
.
h to
t
opology/
commit
|
commitdiff
|
tree
2014-05-24
T
e
emu
M
urtola
Move sy
m
tab
.
* t
o
topolo
g
y/
commit
|
commitdiff
|
tree
2014-05-24
Teemu
Murtola
Merge t_sym
t
ab into sym
t
ab
.
h
commit
|
commitdiff
|
tree
2014-05-22
R
o
land Sc
h
ulz
Fix
m
emory
i
ssue in solvate
commit
|
commitdiff
|
tree
2014-05-22
R
o
land
S
chulz
Add ASAN
build con
f
igurati
o
n
commit
|
commitdiff
|
tree
2014-05-10
Ro
l
an
d
Sc
h
ulz
Merge release-5-0 into master
commit
|
commitdiff
|
tree
2014-05-10
Roland Schulz
M
erge
r
e
lease-4-6 into rel
e
ase-5-
0
commit
|
commitdiff
|
tree
2014-05-09
Roland
S
chulz
Fix G
C
C 4
.
9 warnin
g
s
commit
|
commitdiff
|
tree
2014-05-09
Roland
Schulz
Fix OpenMP unpro
t
eced update bug
commit
|
commitdiff
|
tree
2014-05-09
Rolan
d
Schulz
Fix GCC 4
.
8 warnings
commit
|
commitdiff
|
tree
2014-04-30
Rol
a
nd
Schu
l
z
Fix u
s
age of
g
mx_eof
commit
|
commitdiff
|
tree
2014-04-28
Teemu Murtola
Mov
e
mtxio
.
* to fileio/
commit
|
commitdiff
|
tree
2014-04-28
Rola
n
d Schulz
Re
d
uced
u
s
age of typdefs
.
h
commit
|
commitdiff
|
tree
2014-04-27
Teem
u
Murtola
M
o
ve rve
c
a
n
d f
r
iends to ma
t
h/v
e
ctypes
.
h
commit
|
commitdiff
|
tree
2014-04-22
Rol
a
nd Schulz
Fix
m
emory
e
rror in asc forma
t
I
O
commit
|
commitdiff
|
tree
2014-04-20
Roland Schulz
Move part o
f
macros
.
h
to g
r
ompp-impl
.
h
commit
|
commitdiff
|
tree
2014-04-16
Roland S
c
hulz
M
e
rge rele
a
se-5-0
in
t
o
mast
e
r
commit
|
commitdiff
|
tree
2014-04-16
Roland Schulz
F
i
x
whi
t
espace
commit
|
commitdiff
|
tree
2014-04-16
Teemu Murtol
a
Move xvgr
.
* to filei
o
/
commit
|
commitdiff
|
tree
2014-04-16
Teem
u
M
urtola
Clean up xvgr
.
h
a
nd viewit
.
h
usage
commit
|
commitdiff
|
tree
2014-04-16
Teemu
M
u
r
t
ola
R
emo
v
e sy
s
stuff
.
h
commit
|
commitdiff
|
tree
2014-04-16
Te
e
m
u Murtola
Remove sysstuff
.
h includes f
r
om he
a
d
e
rs
commit
|
commitdiff
|
tree
2014-04-14
Rola
n
d Schulz
Improve languag
e
choice
commit
|
commitdiff
|
tree
2014-04-10
Mar
k
Abraham
Further
f
i
x to gmx tune-pme
commit
|
commitdiff
|
tree
2014-03-11
R
oland Sch
u
lz
Don't disable MSVC warn
i
ngs in
c
onfig
.
h
commit
|
commitdiff
|
tree
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