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Allow creating mock HardwareTopology objects
2015-05-27
Mark
A
b
raha
m
Fix warnings from
GCC
5
commit
|
commitdiff
|
tree
2015-05-25
Teemu Murtola
Overv
i
ew docs
fo
r
analysis
n
b
s
earch
commit
|
commitdiff
|
tree
2015-05-22
Teemu Mu
r
tola
A
ll
o
w any ord
e
r for
se
c
tions i
n
'gm
x
help -export'
commit
|
commitdiff
|
tree
2015-05-22
Teemu Murt
o
la
M
erge re
l
ease-5-0 into master
commit
|
commitdiff
|
tree
2015-05-20
Teem
u
Mu
r
tola
F
i
x
handling of real-va
l
ue
d
'to' selection
r
anges
commit
|
commitdiff
|
tree
2015-05-11
Teemu
M
urtola
Use
s
ing
l
e variable for expected Do
x
ygen version
commit
|
commitdiff
|
tree
2015-05-10
T
eemu Murto
l
a
Mo
v
e some testutils
a
nd ov
e
rvie
w
docs
t
o
dev
guide
commit
|
commitdiff
|
tree
2015-04-24
Mark Abraham
Add
developer docs for new documentation inf
r
as
t
ru
c
ture
commit
|
commitdiff
|
tree
2015-04-24
Teemu Murtola
Add section on
n
aming co
n
ventions
t
o dev manual
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Replace some [BR] in
help texts wit
h
rst
l
iterals
commit
|
commitdiff
|
tree
2015-01-24
Teemu Mu
r
t
o
la
Remov
e
old selecti
o
n parser er
r
or handling
c
ode
commit
|
commitdiff
|
tree
2015-01-07
Teemu Mu
r
t
ola
Cu
s
tom program context
f
or unit tests
commit
|
commitdiff
|
tree
2015-01-06
Teemu
Murto
l
a
U
s
e xvgrclo
s
e
() for files opene
d
with xvgro
p
en()
commit
|
commitdiff
|
tree
2015-01-02
Teemu Murtola
Update copyright year i
n
copyrite
.
cpp
commit
|
commitdiff
|
tree
2014-12-28
Te
e
mu Murt
o
la
Convert g
m
x
-
inse
r
t-molecules i
n
to
proper C++ module
commit
|
commitdiff
|
tree
2014-12-18
Teemu Mu
r
to
l
a
Rework
gmx-solvate t
o
use analysi
s
n
b
search
commit
|
commitdiff
|
tree
2014-12-14
Tee
m
u Murtola
C++ int
e
rface
f
or sur
f
ace
area calc
u
lation
commit
|
commitdiff
|
tree
2014-11-27
T
e
e
mu Mu
r
tola
Clea
n
up gmx
s
olv
a
te
commit
|
commitdiff
|
tree
2014-11-27
T
e
emu Murtola
Mo
r
e
control over fil
e
backups
commit
|
commitdiff
|
tree
2014-11-26
Teemu
Murtola
Convert surface area calculat
i
on to
C
++
commit
|
commitdiff
|
tree
2014-11-21
Teemu
Murt
o
la
Describe
d
o
c-che
c
k in developer manua
l
commit
|
commitdiff
|
tree
2014-10-30
Tee
m
u
Mur
t
ola
Add more selec
t
ion
u
nit te
s
t
s
commit
|
commitdiff
|
tree
2014-10-30
T
eemu M
u
r
t
o
la
Fix more me
m
o
ry le
a
ks
i
n
defa
u
lt
group creat
i
on
commit
|
commitdiff
|
tree
2014-10-29
Tee
m
u
Mur
t
o
la
Merg
e
release-
5
-0 into master
commit
|
commitdiff
|
tree
2014-10-28
Teemu
M
urtola
Avoid common
.
h inc
l
usion in CUDA
code
commit
|
commitdiff
|
tree
2014-10-23
Teemu Mur
t
ola
M
o
ve tru
n
c
a
te()
wrapper t
o
futil
.
h
commit
|
commitdiff
|
tree
2014-10-23
Teemu
M
urtola
En
c
apsul
a
te use of ni
c
e()
commit
|
commitdiff
|
tree
2014-10-22
T
e
e
m
u M
u
rto
l
a
C
o
llec
t
m
o
re p
l
atform-specific code
to sysinfo
.
h
commit
|
commitdiff
|
tree
2014-10-22
Teemu Murtola
Rename
common
.
h to classh
e
l
pers
.
h
commit
|
commitdiff
|
tree
2014-10-14
Teemu Murt
o
la
Check config
.
h
usage in d
o
c-check
commit
|
commitdiff
|
tree
2014-09-21
Teemu Murtola
Introduce a
v
ariable
t
o identify in-source
build
commit
|
commitdiff
|
tree
2014-09-21
Teemu Murtola
Skip man
/
html
/
c
o
mpletion gene
r
ation if not needed
commit
|
commitdiff
|
tree
2014-09-13
Teemu Murtola
E
x
t
e
n
d support for floa
t
/double
t
oleranc
e
s
i
n
testing
commit
|
commitdiff
|
tree
2014-09-12
Teemu
M
urt
o
la
Run include order check in doc-ch
e
ck
commit
|
commitdiff
|
tree
2014-09-05
Teemu
Murtola
Rem
o
ve unnecess
a
r
y
c
onfig
.
h i
n
c
l
udes
commit
|
commitdiff
|
tree
2014-09-05
Teemu Murtola
Move some d
e
fines to g
m
xpre
.
h
f
or t
h
read-
M
PI
commit
|
commitdiff
|
tree
2014-09-04
Teemu Mur
t
o
l
a
I
nclude config
.
h d
i
r
ectl
y
if us
e
d
commit
|
commitdiff
|
tree
2014-08-23
M
ark Ab
r
a
h
am
Generalize markdow
n
configuration mac
h
i
nery
commit
|
commitdiff
|
tree
2014-08-22
Te
e
mu Mu
r
t
o
la
M
ove -nice han
d
ling t
o
CommandLineMo
d
u
leManage
r
commit
|
commitdiff
|
tree
2014-08-20
Tee
m
u Mur
t
o
l
a
Misc
.
gmxpre
.
h-rel
a
ted changes
commit
|
commitdiff
|
tree
2014-08-20
T
e
e
m
u
M
urtola
Mer
g
e release-5-0
into mast
e
r
commit
|
commitdiff
|
tree
2014-08-20
Teemu Murtola
Remove unused config
.
h de
f
ines
commit
|
commitdiff
|
tree
2014-08-19
Teemu Murtola
Int
r
o
duce gmx
p
re
.
h f
o
r tr
u
ly global
d
efinitions
commit
|
commitdiff
|
tree
2014-08-14
Teemu Mu
r
tol
a
Fix CMak
e
pac
k
age co
n
fig afte
r
rec
e
nt version changes
commit
|
commitdiff
|
tree
2014-08-10
Teemu Murtola
I
mprove initAfterFirstFrame() usability
commit
|
commitdiff
|
tree
2014-08-10
Teemu
M
urtola
M
ake vec
.
h const-co
r
rect with
b
o
t
h C and C++
commit
|
commitdiff
|
tree
2014-08-10
Tee
m
u M
u
r
tola
Bas
i
c excl
u
sion support for analysis nb
s
earch
commit
|
commitdiff
|
tree
2014-08-10
Roland
Sch
u
lz
M
e
rge
r
ele
a
s
e
-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-08-09
Teemu M
u
rtola
Add
Selection::hasOnlyAtoms()
commit
|
commitdiff
|
tree
2014-08-07
Teemu Murto
l
a
Basic
s
upport fo
r
2D n
e
ighborhood searc
h
for analysis
commit
|
commitdiff
|
tree
2014-08-04
Teemu Murtola
Ve
r
ify MD5 sum f
o
r FFTW download
commit
|
commitdiff
|
tree
2014-08-03
Te
e
mu Mu
r
tola
Check frame atom
coun
t
before evaluating
s
e
lections
commit
|
commitdiff
|
tree
2014-07-24
T
e
emu Mur
t
ola
Do not ac
t
ually install uniqueptr
.
h
commit
|
commitdiff
|
tree
2014-07-10
Teemu M
u
rtola
Bump S
O
V
E
RSION
commit
|
commitdiff
|
tree
2014-07-09
Teemu Murtol
a
Clean up gmx_h
e
ade
r
_config
commit
|
commitdiff
|
tree
2014-07-09
Teemu Murtola
Merge
r
e
l
e
ase-5
-
0 in
t
o mast
e
r
commit
|
commitdiff
|
tree
2014-07-09
Teemu Murtola
Improve mod
u
l
e
dependenc
y
graph layout
commit
|
commitdiff
|
tree
2014-07-08
T
e
emu Murto
l
a
Move GMX_C
X
X11 to config
.
h
commit
|
commitdiff
|
tree
2014-07-08
Te
e
mu Murtola
R
emove gmx_un
i
que_ptr f
r
om options public header
s
commit
|
commitdiff
|
tree
2014-07-08
Teemu Murtola
Remove selection
help from SelectionCo
l
l
e
c
ti
o
n
commit
|
commitdiff
|
tree
2014-07-08
Teemu
M
urtola
Make do
c
-chec
k
pass again without warnings
commit
|
commitdiff
|
tree
2014-07-05
Te
e
mu
Murtola
Merge release-5-0
into master
commit
|
commitdiff
|
tree
2014-06-30
Teemu Murtola
Merge r
e
lease-5-0 into mas
t
er
commit
|
commitdiff
|
tree
2014-06-28
T
ee
m
u
Murtola
R
e
move ov
e
r
e
a
g
er selection
index group
check
commit
|
commitdiff
|
tree
2014-06-21
Te
e
m
u
Mur
t
o
l
a
Con
v
er
t
checkpoi
n
t
.
c to C++ compila
t
ion
commit
|
commitdiff
|
tree
2014-06-07
Teemu Murtola
Clean up File
N
ame
O
ptionS
t
orag
e
impleme
n
tat
i
on
commit
|
commitdiff
|
tree
2014-06-07
Teemu Murtola
Move
i
ndex
.
* t
o
topology/
commit
|
commitdiff
|
tree
2014-06-03
M
a
rk A
b
raha
m
Convert repl_ex
.
c to C++
commit
|
commitdiff
|
tree
2014-06-02
Te
e
mu
M
urtola
Move
a
tomp
r
op
.
*
to topolog
y
/
commit
|
commitdiff
|
tree
2014-05-31
Teemu Murtola
Move
m
top_util
.
* and topso
r
t
.
*
t
o topology/
commit
|
commitdiff
|
tree
2014-05-29
Teemu Murtol
a
Remove m
o
re
u
ses of
t
ypedefs
.
h
commit
|
commitdiff
|
tree
2014-05-25
Teemu
Mur
t
ola
Move
general func
t
ions out of typedefs
.
h
commit
|
commitdiff
|
tree
2014-05-25
Teem
u
Murtola
R
e
move som
e
ty
p
edefs
.
h
dependencies
commit
|
commitdiff
|
tree
2014-05-25
Teemu Murt
o
la
Move types/topolog
y
.
h
to topology/
commit
|
commitdiff
|
tree
2014-05-24
Teemu Mur
t
ola
Move types/idef
.
h to
t
op
o
logy/
commit
|
commitdiff
|
tree
2014-05-21
Teem
u
Murtola
Move
m
shift
.
* to pbc
u
til/
commit
|
commitdiff
|
tree
2014-05-21
Teemu
Murtola
M
e
rge t_grap
h
def
i
niti
o
n
int
o
mshift
.
h
commit
|
commitdiff
|
tree
2014-05-18
Teemu
M
urtola
C
l
ean up
m
atio
.
*
commit
|
commitdiff
|
tree
2014-05-17
Teemu Murtola
More elaborate default handlin
g
for F
i
leN
a
meOpt
i
o
n
commit
|
commitdiff
|
tree
2014-05-01
Teemu Murtola
Fix inco
r
rect limits in FloatO
p
tionStorag
e
commit
|
commitdiff
|
tree
2014-04-27
Teemu Mur
t
ola
Move '
r
e
a
l
'
definition to
utility/
r
e
al
.
h
commit
|
commitdiff
|
tree
2014-04-16
Teemu Mur
t
ola
Remo
v
e
unused minve
r
t
.
h
commit
|
commitdiff
|
tree
2014-04-13
Teemu Mu
r
tola
Rem
o
v
e
u
n
us
e
d shift
.
h
commit
|
commitdiff
|
tree
2014-04-08
Teem
u
M
urtola
Version bump
for pos
t
-
5
.
0 develop
m
en
t
commit
|
commitdiff
|
tree
2014-04-04
T
eemu Murtola
R
emove ancient SGI-speci
f
i
c
code
commit
|
commitdiff
|
tree
2014-04-04
Teemu Mur
t
ola
Clean up gmx_fatal
.
*
commit
|
commitdiff
|
tree
2014-03-30
Teemu Murto
l
a
Cl
e
an
u
p
string
2
.
h
-
related includ
e
s
commit
|
commitdiff
|
tree
2014-03-27
T
e
emu Murtola
Move
i
nclude
d
ependency checks to
do
c
-ch
e
ck
commit
|
commitdiff
|
tree
2014-03-27
T
eemu M
u
rtola
Bette
r
automa
t
ed Do
x
ygen doc
u
mentation
c
hecker
commit
|
commitdiff
|
tree
2014-03-27
T
eemu Mu
r
to
l
a
Misc
.
Doxygen fixes
commit
|
commitdiff
|
tree
2014-03-27
Tee
m
u
M
urtola
Move threa
d
_
m
pi
to src/extern
a
l/
commit
|
commitdiff
|
tree
2014-03-24
Tee
m
u Murtola
Rem
o
ve gmxprepro
c
ess from
i
nclude p
a
th
commit
|
commitdiff
|
tree
2014-03-08
Teemu Mu
r
tol
a
Remove
s
ome unnecessa
r
y decl
a
rat
i
o
ns
commit
|
commitdiff
|
tree
2014-02-28
Tee
m
u
M
u
rtola
R
e
sidual SIMD Doxygen improvements
commit
|
commitdiff
|
tree
2014-02-28
Teemu Murtola
Misc
.
Doxygen config
u
ration changes
commit
|
commitdiff
|
tree
2014-02-26
Teemu Murtola
Fix G
M
X_P
R
I
u32
a
nd G
M
X_P
R
Iu64 for MS
V
C
commit
|
commitdiff
|
tree
2014-02-25
Mark Abraham
Keep compilers happy
o
n BG/Q
commit
|
commitdiff
|
tree
2014-02-15
T
ee
m
u
M
ur
t
o
l
a
Fix some bro
k
en links in HTML pages
commit
|
commitdiff
|
tree
2014-02-09
Teemu
Murtol
a
Shell
comple
t
i
ons through Options
commit
|
commitdiff
|
tree
2014-02-03
Mark
A
braham
Add
hack to fix genbox
commit
|
commitdiff
|
tree
next