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Framework for help export from wrapper binary.
2013-09-19
Tee
m
u
Murtola
Frame
w
ork
for help
exp
o
rt from wrapper
binary
.
commit
|
commitdiff
|
tree
2013-09-13
T
e
emu Murt
o
la
A
d
d op
t
ion to
build a standalone mdru
n
bin
a
r
y
on
l
y
.
commit
|
commitdiff
|
tree
2013-09-13
T
e
emu
M
urto
l
a
Move mdrun
i
nto the
wrappe
r
binar
y
.
commit
|
commitdiff
|
tree
2013-09-13
Tee
m
u Mu
r
t
o
la
Ma
k
e parse_commo
n
_arg
s
()
n
ot exit
.
commit
|
commitdiff
|
tree
2013-09-13
T
e
emu Mu
r
t
o
l
a
R
e
mov
e
unused -man
o
utput fo
r
mats
.
commit
|
commitdiff
|
tree
2013-09-09
Teemu Murtola
Make gmx_ana
_
po
s
_t a C++ class
.
commit
|
commitdiff
|
tree
2013-09-09
Tee
m
u Murtola
A
d
d some le
g
ends to C++ tool output
.
commit
|
commitdiff
|
tree
2013-09-08
Tee
m
u Murtola
Remove d
u
pli
c
a
te
.
n
r mem
b
er
s
from
s
el
e
ctio
n
structs
.
commit
|
commitdiff
|
tree
2013-09-08
Teemu Murtola
R
e
m
ove gmx_ana_indexmap_t::bMapStat
i
c
.
commit
|
commitdiff
|
tree
2013-09-08
Teemu Murt
o
l
a
Move gmx_ana_pos_t::
g
into
g
mx_ana_indexmap_t
.
commit
|
commitdiff
|
tree
2013-09-06
Teemu Mur
t
ola
Suppor
t
f
or paralle
l
d
a
ta mo
d
ules
.
commit
|
commitdiff
|
tree
2013-09-05
T
eemu
Mur
t
o
l
a
Abst
r
a
ctAnalysisD
a
ta mo
d
ule han
d
ling into a s
e
parate
.
.
.
commit
|
commitdiff
|
tree
2013-09-01
Teemu
M
urto
l
a
Merge "Merge branch re
l
ease-4-6
i
nto master"
commit
|
commitdiff
|
tree
2013-08-30
T
eem
u
Murtola
Clean-up and im
p
rovements in C++ tool
s
.
commit
|
commitdiff
|
tree
2013-08-24
Te
e
mu Murt
o
la
Fine-
t
un
e
co
p
yrig
h
t printing
.
commit
|
commitdiff
|
tree
2013-08-24
Teemu Murtola
[RF
C
] Reall
y
u
nifo
r
m s
t
artup
p
at
h
for all binaries
.
commit
|
commitdiff
|
tree
2013-08-21
Teemu Mu
r
tola
S
t
atistic
s
for gm
x
-distance
.
commit
|
commitdiff
|
tree
2013-08-21
Teemu Murtola
Lifetime
s
t
a
tis
t
ics into gmx-
s
elect
.
commit
|
commitdiff
|
tree
2013-08-16
Teemu M
u
rtola
R
eplacement fo
r
g_bond and g_di
s
t
.
commit
|
commitdiff
|
tree
2013-08-11
Tee
m
u Murt
o
la
Support for mu
l
t
iple ana
l
ysi
s
da
t
a sets in mo
d
ules
.
commit
|
commitdiff
|
tree
2013-08-11
T
eemu Murtola
Base support fo
r
m
ultiple analysisdat
a
data sets
.
commit
|
commitdiff
|
tree
2013-08-10
Teemu Murtola
Rem
o
ve superfluous selection nam
e
s
from refda
t
a
.
commit
|
commitdiff
|
tree
2013-08-10
Teemu Murtola
Ad
d
check for unsorted index groups in selections
.
commit
|
commitdiff
|
tree
2013-08-09
Teemu Mur
t
ola
Treat
exc
e
p
t
ions better
i
n
interactive selec
t
i
o
ns
.
commit
|
commitdiff
|
tree
2013-08-05
Teemu Murto
l
a
Add u
n
it tests for index g
r
oups
i
n sele
c
t
i
o
ns
.
commit
|
commitdiff
|
tree
2013-08-04
Teemu Murtola
Add
unit test
coverage
for
simple selecti
o
n keyword
s
.
commit
|
commitdiff
|
tree
2013-08-03
Teem
u
Mu
r
tola
Fil
e
utils to C++
.
commit
|
commitdiff
|
tree
2013-08-02
Teemu Murt
o
la
Add an option
to d
i
sable all as
s
erts for
c
ove
r
age
.
commit
|
commitdiff
|
tree
2013-07-30
T
e
emu Mu
r
tola
H
a
ndle wrapper binar
y
opti
o
ns also for symlinks
.
commit
|
commitdiff
|
tree
2013-07-30
Teemu Murtola
Better
c
om
m
and-
l
i
ne option handling fo
r
tes
t
s
.
commit
|
commitdiff
|
tree
2013-07-25
Tee
m
u Murtola
Add
u
n
it tests for
s
election position calculation
.
commit
|
commitdiff
|
tree
2013-07-24
Te
e
mu
Murtola
Fix pthread detectio
n
for GMock
commit
|
commitdiff
|
tree
2013-07-22
Teemu Mu
r
tola
Conve
n
ience metho
d
s for impleme
n
ting main()
.
commit
|
commitdiff
|
tree
2013-07-22
Teemu Murt
o
la
I
m
p
r
o
ve program name r
e
porti
n
g
.
commit
|
commitdiff
|
tree
2013-07-22
Tee
m
u Mu
r
tol
a
Fix Doxygen
w
arnings
.
commit
|
commitdiff
|
tree
2013-07-21
Teem
u
Murto
l
a
Uniform
"gen
e
rated by" informati
o
n in
out
p
ut files
.
commit
|
commitdiff
|
tree
2013-07-21
Tee
m
u
Murtola
More
files t
o
C++
.
commit
|
commitdiff
|
tree
2013-07-20
Te
e
mu M
u
r
t
o
la
O
ptions for
contro
l
li
n
g startup out
p
u
t
.
commit
|
commitdiff
|
tree
2013-07-20
Teemu
M
urtola
Be l
e
ss verbose with progra
m
o
ption
s
.
commit
|
commitdiff
|
tree
2013-07-19
T
e
emu Murtola
P
r
e-emptively fix some C++ warni
n
gs
.
commit
|
commitdiff
|
tree
2013-07-19
T
e
e
mu Mu
r
t
ola
U
n
ifor
m
and less
v
erbose startup for all bina
r
ies
.
commit
|
commitdiff
|
tree
2013-07-19
Teemu Murtola
Extract Do
x
ygen comment
s
within #
i
fdef __c
p
lusplus
.
commit
|
commitdiff
|
tree
2013-07-17
Teem
u
Murtola
Support for storing multipoint analysis d
a
ta
.
commit
|
commitdiff
|
tree
2013-07-03
Teem
u
Murtola
Split Analysis
D
ataStorageFrame int
o
two
.
commit
|
commitdiff
|
tree
2013-07-03
Teemu
M
urtola
S
w
i
tch remaini
n
g main() funct
i
ons
a
nd
c
opyrit
e
.
c
to
.
.
.
commit
|
commitdiff
|
tree
2013-07-03
Teemu Mu
r
tola
R
em
o
ve g_
h
ighway an
d
vbox
.
c
.
commit
|
commitdiff
|
tree
2013-07-03
Tee
m
u
Murt
o
la
Further copyrite
.
h cl
e
anu
p
.
commit
|
commitdiff
|
tree
2013-06-30
Teemu M
u
rtol
a
Scr
i
pt f
o
r running uncr
u
stify for modified fi
l
es
.
commit
|
commitdiff
|
tree
2013-06-28
T
e
emu Murtola
Fix overeager Vd
W
r
adii change no
t
e
.
commit
|
commitdiff
|
tree
2013-06-27
Tee
m
u Murtola
Mo
r
e flexible pos
i
tio
n
input fo
r
nbsearch rou
t
ines
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu Murtola
C++-ify analysis nbsearch more
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu Murtola
R
em
o
ve C API for analysis neig
h
bor
h
oor search
.
commit
|
commitdiff
|
tree
2013-06-27
Te
e
mu Murtola
Better concurrency support for analysis nbsearch
.
commit
|
commitdiff
|
tree
2013-06-27
T
e
emu M
u
rtola
Fi
x
analysis neighborho
o
d search f
o
r 2
D
/sc
r
ew PBC
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu Murtola
Proper
C++ A
P
I for analys
i
s nei
g
h
borhood sea
r
ch
.
commit
|
commitdiff
|
tree
2013-06-27
Teem
u
M
u
rto
l
a
F
i
x
s
o
m
e iss
u
es found by cppcheck
-
1
.
58
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu Murtola
More
binaries into the wrapper b
i
nary
.
commit
|
commitdiff
|
tree
2013-06-24
Teemu Murt
o
la
C
l
e
a
n up copyrite
.
*
.
commit
|
commitdiff
|
tree
2013-06-24
Teemu Murtola
M
o
v
e
FFT ro
u
t
i
nes to src/gro
m
a
c
s/fft/
.
commit
|
commitdiff
|
tree
2013-06-24
Teemu Murtola
R
estruct
u
re
AnalysisData unit
tes
t
s
.
commit
|
commitdiff
|
tree
2013-06-24
Tee
m
u Murtola
More flex
i
ble input data for analysisdata te
s
ts
.
commit
|
commitdiff
|
tree
2013-06-17
Teemu M
u
rtola
Add
unit te
s
ts for sel
e
ction index
m
apping
.
commit
|
commitdiff
|
tree
2013-06-17
Teemu Murtola
Unifo
r
m initialization for analysi
s
dat
a
tests
.
commit
|
commitdiff
|
tree
2013-06-17
Teemu Murtola
Separate topology
hand
l
ing in
sel
e
ction te
s
ts
.
commit
|
commitdiff
|
tree
2013-06-14
T
eemu Murtola
Imp
r
o
ve reference
d
a
t
a
c
hec
k
s
a
gai
n
st same
da
t
a
.
commit
|
commitdiff
|
tree
2013-06-13
Teemu Mu
r
tola
Added ability to us
e
cpp
c
heck from the
c
omm
a
nd
line
.
commit
|
commitdiff
|
tree
2013-06-12
T
eemu
M
urtola
Bett
e
r ave
r
aging
f
o
r a
n
a
lysis data modules
.
commit
|
commitdiff
|
tree
2013-06-11
Teemu Murtola
Move wman
.
*
to
src/gr
o
macs/on
l
inehelp/
.
commit
|
commitdiff
|
tree
2013-06-04
Teem
u
M
urtol
a
S
pli
t
cmake thread detection
into
core t
h
r
ea
d
and
thread_
m
pi
.
commit
|
commitdiff
|
tree
2013-05-30
Teemu
M
urt
o
l
a
Only build base threa
d
s
u
pport with G
M
X_T
H
READ_MPI
.
.
.
commit
|
commitdiff
|
tree
2013-05-28
T
e
emu
Murtola
Fix
a
n error in selectio
n
online
h
elp
.
commit
|
commitdiff
|
tree
2013-05-24
Teem
u
Murt
o
l
a
Merge b
r
anch 'release-4-6'
commit
|
commitdiff
|
tree
2013-05-22
Teemu Murto
l
a
A
d
d a
f
ew sequen
c
e
d
iag
r
ams to Doxygen docs
.
commit
|
commitdiff
|
tree
2013-04-29
Teem
u
M
urtola
Remo
v
e gmx_
a
n
a
_
index_t::name an
d
unus
e
d
code
.
commit
|
commitdiff
|
tree
2013-04-19
Teemu Mu
r
to
l
a
Merge b
r
anc
h
'relea
s
e-4
-
5-patches'
commit
|
commitdiff
|
tree
2013-04-17
T
eemu
M
urtola
Add ch
e
ck for
e
m
pty selections
.
commit
|
commitdiff
|
tree
2013-04-17
Teemu Murt
o
la
Im
p
lement remain
i
ng S
e
lectio
n
O
p
tion
flags
.
commit
|
commitdiff
|
tree
2013-04-10
T
eemu
M
u
r
tol
a
Fix another bug in selection
su
b
exp
r
e
ssion handling
.
commit
|
commitdiff
|
tree
2013-04-10
Teemu
M
u
r
tola
Fix b
u
g in selection subexpression h
a
ndli
n
g
.
commit
|
commitdiff
|
tree
2013-04-10
Teemu Murtol
a
Merge "M
e
r
ge r
e
lease-4-5-patches in
t
o release-4-
6
"
.
.
.
commit
|
commitdiff
|
tree
2013-04-10
Teemu
M
urto
l
a
Fix another bug
in selecti
o
n
s
ube
x
p
ress
i
o
n
handling
.
commit
|
commitdiff
|
tree
2013-04-07
Teemu
M
ur
t
ola
Fix bug in selection subexpression handling
.
commit
|
commitdiff
|
tree
2013-03-26
T
e
emu Murtola
Improve master-specific CMake
b
e
havior
.
commit
|
commitdiff
|
tree
2013-03-26
Teemu Murtola
A
dd histogram output for
'g
m
x gangl
e
'
.
commit
|
commitdiff
|
tree
2013-03-24
Tee
m
u
M
urtola
Me
r
ge
libgmxana into libgromacs
.
commit
|
commitdiff
|
tree
2013-03-22
Teemu M
u
r
t
ola
Merge
"Merge release-4-6 into
m
aster"
commit
|
commitdiff
|
tree
2013-03-08
Tee
m
u Murt
o
la
Better test asserti
o
ns
for
exceptions
.
commit
|
commitdiff
|
tree
2013-03-07
Teemu Mur
t
ola
Improve en
u
m
opti
o
n
i
n
t
erf
a
ce
.
commit
|
commitdiff
|
tree
2013-03-07
Teemu M
u
rtola
Mor
e
f
lexi
b
le handl
i
n
g
of enu
m
opt
i
on descriptio
n
s
.
commit
|
commitdiff
|
tree
2013-03-07
Teemu
M
urtol
a
Fix copyrigh
t
noti
c
es fo
r
new
C
+
+
code
.
commit
|
commitdiff
|
tree
2013-03-07
T
eemu Murtola
Update my e-mail ad
d
ress o
n
author lines
.
commit
|
commitdiff
|
tree
2013-03-07
T
e
emu Mu
r
tola
Merge "U
n
crustify template
.
cpp
an
d
sele
c
tion
.
cpp
.
"
commit
|
commitdiff
|
tree
2013-03-07
Teemu M
u
rtola
Merge "
M
erge rel
e
ase
-
4-6 int
o
master"
commit
|
commitdiff
|
tree
2013-02-25
T
e
emu Mu
r
tola
U
ncrustify template
.
c
p
p and s
e
lection
.
cpp
.
commit
|
commitdiff
|
tree
2013-02-13
Tee
m
u Murto
l
a
F
ix velocity and force evalua
t
ion for e
m
p
t
y
s
electio
n
s
.
commit
|
commitdiff
|
tree
2013-02-13
Teemu Mur
t
o
la
Chang
e
Co
n
st
A
rray
R
ef constructor argument order
.
commit
|
commitdiff
|
tree
2013-02-13
Teemu Murt
o
la
Add
c
ontin
u
ous array access
o
rs for selection data
.
commit
|
commitdiff
|
tree
2013-02-13
Teemu M
u
rtola
Ad
d
te
s
ts for selection mass
e
valuation an
d
fix it
.
commit
|
commitdiff
|
tree
2013-02-10
Teemu Mu
r
tola
Manu
a
l reformattin
g
in prepa
r
a
tion
for uncrustify
.
commit
|
commitdiff
|
tree
2013-01-13
Teemu M
u
rt
o
l
a
R
e
move unused bfunc
.
h
.
commit
|
commitdiff
|
tree
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