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Add check for unsorted index groups in selections.
2013-08-10
Teemu
M
urtola
Add
check f
o
r
u
n
s
o
r
t
ed index g
r
oups
in selecti
o
ns
.
commit
|
commitdiff
|
tree
2013-08-09
T
e
e
mu Murt
o
la
Treat exc
e
p
tions better in inter
a
ctiv
e
selections
.
commit
|
commitdiff
|
tree
2013-08-05
Teemu
M
urtola
Add u
n
i
t
tests for
index groups in selections
.
commit
|
commitdiff
|
tree
2013-08-04
Te
e
mu Murtola
Ad
d
unit
test co
v
erage
for si
m
ple
s
el
e
ction keywords
.
commit
|
commitdiff
|
tree
2013-08-03
Tee
m
u Mu
r
tol
a
File u
t
ils to C++
.
commit
|
commitdiff
|
tree
2013-08-02
Te
e
mu
M
urtola
Add
an
o
ption t
o
disabl
e
al
l
a
sserts
for coverage
.
commit
|
commitdiff
|
tree
2013-07-30
T
eemu Murtola
H
an
d
le wrapper b
i
nary options also for
s
ymlinks
.
commit
|
commitdiff
|
tree
2013-07-30
Teemu Murtola
Better command-l
i
ne option h
a
n
d
l
ing f
o
r tests
.
commit
|
commitdiff
|
tree
2013-07-25
Teemu Murtol
a
A
d
d un
i
t tests f
o
r s
e
lection position c
a
lculation
.
commit
|
commitdiff
|
tree
2013-07-24
T
e
emu Murtola
Fix pthrea
d
d
e
tect
i
on
f
or GMock
commit
|
commitdiff
|
tree
2013-07-22
Teemu Murtola
Convenience methods for
implementing m
a
i
n()
.
commit
|
commitdiff
|
tree
2013-07-22
Teemu Murtola
I
mp
r
ove program name reporting
.
commit
|
commitdiff
|
tree
2013-07-22
Teemu M
u
rtola
Fix D
o
xygen
warnings
.
commit
|
commitdiff
|
tree
2013-07-21
Teemu Murtola
Uniform "genera
t
e
d by" info
r
m
a
tion in output
f
iles
.
commit
|
commitdiff
|
tree
2013-07-21
Teemu Murto
l
a
More fil
e
s to C++
.
commit
|
commitdiff
|
tree
2013-07-20
Te
e
mu
M
u
rtola
Option
s
for controllin
g
startup output
.
commit
|
commitdiff
|
tree
2013-07-20
T
e
emu Murt
o
la
Be les
s
v
e
rbose wi
t
h program op
t
ions
.
commit
|
commitdiff
|
tree
2013-07-19
Tee
m
u
Murtola
P
r
e-e
m
p
t
ively fi
x
some C+
+
warnings
.
commit
|
commitdiff
|
tree
2013-07-19
T
e
emu Murto
l
a
Uniform and l
e
ss verbose startup
for
a
ll b
i
nari
e
s
.
commit
|
commitdiff
|
tree
2013-07-19
T
eemu
Murtola
E
xtract Doxyge
n
comm
e
nts within #ifde
f
__cplusplus
.
commit
|
commitdiff
|
tree
2013-07-17
Teemu Murtola
S
u
pport for
storing
m
ultipoint analysi
s
da
t
a
.
commit
|
commitdiff
|
tree
2013-07-03
T
eemu Murtola
Split A
n
al
y
sisDataStor
a
ge
F
rame i
n
to t
w
o
.
commit
|
commitdiff
|
tree
2013-07-03
Tee
m
u
Murtola
Switch remaining ma
i
n()
fun
c
tions and co
p
y
r
i
te
.
c to
.
.
.
commit
|
commitdiff
|
tree
2013-07-03
Teemu
M
urtola
Remove g_highway a
n
d vbox
.
c
.
commit
|
commitdiff
|
tree
2013-07-03
Teemu Murtola
Further c
o
pyrite
.
h cleanup
.
commit
|
commitdiff
|
tree
2013-06-30
Tee
m
u Murtola
S
c
ript fo
r
ru
n
ning uncrustify fo
r
m
odif
i
ed f
i
les
.
commit
|
commitdiff
|
tree
2013-06-28
Teemu Murt
o
la
Fix overeager VdW radii
c
hange no
t
e
.
commit
|
commitdiff
|
tree
2013-06-27
T
eemu Murtola
M
o
re flexib
l
e position input
for nbsearch ro
u
tines
.
commit
|
commitdiff
|
tree
2013-06-27
Tee
m
u Murtola
C++-ify analysis n
b
s
e
arch
more
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu Mu
r
t
o
la
Remove C API for analysis neigh
b
o
rhoor search
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu
Murtola
Better
c
oncurrency support fo
r
a
nalysis nbsearch
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu Murtol
a
Fix analysis neighborh
o
od se
a
rch for
2
D/
s
crew PBC
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu Murtola
Proper C++ API for ana
l
ysis nei
g
hborhoo
d
s
earch
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu Murtola
Fi
x
some i
s
sues
found by cppcheck
-
1
.
58
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu Murtola
More
b
inaries i
n
to the
wr
a
pper binary
.
commit
|
commitdiff
|
tree
2013-06-24
Teemu
Murtola
Clean up cop
y
rite
.
*
.
commit
|
commitdiff
|
tree
2013-06-24
Teemu Murtola
M
o
ve
F
FT routines to src/
g
romacs/fft/
.
commit
|
commitdiff
|
tree
2013-06-24
Teemu Murtola
Res
t
ru
c
ture
A
nal
y
sisDa
t
a unit tests
.
commit
|
commitdiff
|
tree
2013-06-24
T
ee
m
u Murtola
M
ore flexible inpu
t
data for analysisdata te
s
ts
.
commit
|
commitdiff
|
tree
2013-06-17
T
e
emu Murtola
Add unit te
s
ts for
s
election index mapping
.
commit
|
commitdiff
|
tree
2013-06-17
Teemu Murtola
Uniform initialization for analysisdata tests
.
commit
|
commitdiff
|
tree
2013-06-17
Teemu Murtola
Sepa
r
ate to
p
ology handling in
selection te
s
ts
.
commit
|
commitdiff
|
tree
2013-06-14
Te
e
mu Murtol
a
Improve reference
data
c
he
c
ks
a
gainst
s
ame
d
ata
.
commit
|
commitdiff
|
tree
2013-06-13
Teemu
M
urto
l
a
Added ability to use
cppcheck from the
c
ommand line
.
commit
|
commitdiff
|
tree
2013-06-12
Teemu M
u
rtola
Better averaging for analysis data modules
.
commit
|
commitdiff
|
tree
2013-06-11
Teemu Murtola
M
o
ve wman
.
*
to src/gromacs/onlineh
e
lp/
.
commit
|
commitdiff
|
tree
2013-06-04
Teemu Murtola
S
p
l
i
t cm
a
ke t
h
r
e
ad detec
t
ion
into core thread and t
h
read_mpi
.
commit
|
commitdiff
|
tree
2013-05-30
T
e
emu Murtola
Only build
b
a
se thre
a
d support wit
h
GMX_THREA
D
_
MPI
.
.
.
commit
|
commitdiff
|
tree
2013-05-28
Tee
m
u M
u
rtola
Fix an error in selection online help
.
commit
|
commitdiff
|
tree
2013-05-24
Te
e
mu M
u
rtola
Merge
branch
'
release-4-6
'
commit
|
commitdiff
|
tree
2013-05-22
T
e
emu Murtola
Add
a f
e
w seque
n
ce diagrams to
D
oxygen docs
.
commit
|
commitdiff
|
tree
2013-04-29
T
e
em
u
Murtol
a
Remove
g
mx_ana_ind
e
x
_t:
:
n
a
me and
unused co
d
e
.
commit
|
commitdiff
|
tree
2013-04-19
T
ee
m
u
Murtola
Merge branc
h
'release-4-
5
-p
a
tches
'
commit
|
commitdiff
|
tree
2013-04-17
Teemu
M
urtola
Ad
d
check for
e
m
pty sel
e
c
t
ions
.
commit
|
commitdiff
|
tree
2013-04-17
Te
e
mu Murtola
Implement remaini
n
g Selectio
n
Option f
l
a
g
s
.
commit
|
commitdiff
|
tree
2013-04-10
Teemu M
u
rto
l
a
Fix another
b
u
g in
s
elec
t
io
n
subexpressio
n
h
a
n
d
li
n
g
.
commit
|
commitdiff
|
tree
2013-04-10
Teemu Murtola
Fix
bug in selection subexpr
e
ssi
o
n han
d
li
n
g
.
commit
|
commitdiff
|
tree
2013-04-10
Teemu
M
u
rtol
a
Merge "Merge release-4-
5
-
p
atches in
t
o release-4-
6
"
.
.
.
commit
|
commitdiff
|
tree
2013-04-10
Teem
u
Murtola
Fix another bug
in
s
ele
c
tion sube
x
pre
s
s
i
o
n handling
.
commit
|
commitdiff
|
tree
2013-04-07
Teemu
M
urtola
Fix bug
in sele
c
t
i
on subexpression h
a
ndling
.
commit
|
commitdiff
|
tree
2013-03-26
Teemu Murtola
Improve mas
t
er-specific
CMake
b
e
havior
.
commit
|
commitdiff
|
tree
2013-03-26
Teemu Murtola
Add histogram output for 'gmx gan
g
le'
.
commit
|
commitdiff
|
tree
2013-03-24
Teemu M
u
rtol
a
M
e
r
ge libgmxana in
t
o libgromac
s
.
commit
|
commitdiff
|
tree
2013-03-22
Tee
m
u
Murtol
a
Me
r
g
e
"Merg
e
rel
e
ase-4-6 into m
a
s
t
er"
commit
|
commitdiff
|
tree
2013-03-08
Teem
u
Murtola
Better te
s
t
assert
i
ons fo
r
exceptio
n
s
.
commit
|
commitdiff
|
tree
2013-03-07
Teemu Murtola
Improv
e
e
num
opt
i
on interface
.
commit
|
commitdiff
|
tree
2013-03-07
Teemu Murtola
More
f
lexibl
e
hand
l
i
n
g
of
e
num option desc
r
iptions
.
commit
|
commitdiff
|
tree
2013-03-07
Teemu Murto
l
a
F
ix copyright notices for ne
w
C++
code
.
commit
|
commitdiff
|
tree
2013-03-07
T
e
emu Murt
o
la
Update my e-mai
l
add
r
ess on author lines
.
commit
|
commitdiff
|
tree
2013-03-07
Teemu
Mur
t
o
l
a
Merge "Uncru
s
tify template
.
cpp a
n
d select
i
o
n
.
cpp
.
"
commit
|
commitdiff
|
tree
2013-03-07
Teem
u
M
u
rtola
Merg
e
"Mer
g
e release-4-6 into m
a
ster"
commit
|
commitdiff
|
tree
2013-02-25
Teemu Murtola
Uncrustify
temp
l
ate
.
cpp and selec
t
io
n
.
cpp
.
commit
|
commitdiff
|
tree
2013-02-13
T
e
emu Murtol
a
F
i
x
velocit
y
and for
c
e
e
valuation for empt
y
sele
c
ti
o
ns
.
commit
|
commitdiff
|
tree
2013-02-13
T
eemu Murtola
Change ConstArr
a
yRef construc
t
or argument order
.
commit
|
commitdiff
|
tree
2013-02-13
Teemu
M
u
rtola
A
d
d
c
ontinu
o
us a
r
ray accessors for se
l
ection data
.
commit
|
commitdiff
|
tree
2013-02-13
T
ee
m
u Murto
l
a
Add
t
ests
for s
e
lection mass evalu
a
tio
n
and fix
i
t
.
commit
|
commitdiff
|
tree
2013-02-10
Teemu M
u
rtola
M
an
u
a
l
r
e
f
o
r
matting in prepa
r
ation for uncrustify
.
commit
|
commitdiff
|
tree
2013-01-13
Teemu Mu
r
tol
a
R
emove
u
nused bfunc
.
h
.
commit
|
commitdiff
|
tree
2013-01-04
Teemu
Murtola
M
e
rg
e
"Mino
r
fixes to g
_
ang
l
e
h
elp description
.
" int
o
.
.
.
commit
|
commitdiff
|
tree
2013-01-04
Teemu Murtola
Merge "ad
d
an opti
o
n to not build the template" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-04
Teemu M
u
rtola
Merge "Add missing define
s
to PKG_CFLAGS
"
into release-
4
-6
commit
|
commitdiff
|
tree
2013-01-04
Teemu Murtola
Merge
"
Fix
e
d e
r
r
o
r mess
a
g
e for zwitte
r
ion res
i
dues
.
.
.
commit
|
commitdiff
|
tree
2012-12-30
Teemu
Murtola
Remo
v
e non
-
functional PowerPC invsqrt
.
commit
|
commitdiff
|
tree
2012-12-30
T
e
emu Murtola
Re
m
o
v
e
superfluous
m
em
o
ry allocation
.
commit
|
commitdiff
|
tree
2012-12-21
Tee
m
u Murt
o
la
Make gmx_cpuid
.
h
self-standing
.
commit
|
commitdiff
|
tree
2012-12-21
T
eem
u
Murtola
R
e
m
ove non-functiona
l
comp
i
ler
o
verride for MacOSX
.
commit
|
commitdiff
|
tree
2012-12-17
T
eem
u
Murtola
Fix license text printed by pro
g
rams
.
commit
|
commitdiff
|
tree
2012-12-10
Teemu Murtola
Rename g_ana to gmx
.
commit
|
commitdiff
|
tree
2012-12-10
Teemu Murtola
Replace m
o
st tools
w
i
t
h symlinks
t
o
g_a
n
a
.
commit
|
commitdiff
|
tree
2012-12-10
Teemu M
u
rtol
a
Wrap
p
er
mo
d
ule to add old
b
inaries
i
nto g_
a
na
.
commit
|
commitdiff
|
tree
2012-12-06
Teemu Mu
r
t
ol
a
F
ix build o
f
template and
other externa
l
c
o
de
.
commit
|
commitdiff
|
tree
2012-11-25
Teemu Murtola
Extende
d
build inform
a
t
ion output an
d
reference build
.
.
.
commit
|
commitdiff
|
tree
2012-11-10
Teemu Murtola
O
ption
to create symlinks to g_
a
na
.
commit
|
commitdiff
|
tree
2012-11-10
Teemu Murtola
A
lways
us
e
relative instal
l
paths
.
commit
|
commitdiff
|
tree
2012-11-10
Teem
u
M
u
rt
o
la
Remove obsolete GMX_THREAD_SHM_FDEC
O
M
P
.
commit
|
commitdiff
|
tree
2012-11-08
Teemu
Murtola
I
nclude Gromacs
f
i
le
s
with double
q
uote
s
in C++
c
ode
.
commit
|
commitdiff
|
tree
2012-11-08
Teemu Murtola
Remove
unnecessary config
.
h
i
ncludes in C++ c
o
de
.
commit
|
commitdiff
|
tree
2012-10-27
Te
e
mu
Mur
t
ola
Cle
a
n u
p
git version
g
eneration
.
commit
|
commitdiff
|
tree
2012-10-16
Teemu Mur
t
ola
Script f
o
r
a
n
al
y
zi
n
g include dep
e
nde
n
ci
e
s
.
commit
|
commitdiff
|
tree
2012-10-15
Teemu Murtola
Cle
a
n up g_ana
a
ngle imple
m
entation
.
commit
|
commitdiff
|
tree
next