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Replace some [BR] in help texts with rst literals
2015-02-13
Tee
m
u Murtola
Replace
some
[
B
R
]
i
n
help te
x
ts with rst literals
commit
|
commitdiff
|
tree
2015-02-13
Tee
m
u
Murt
o
la
Move flow
chart from old-html
t
o
S
phinx
commit
|
commitdiff
|
tree
2015-02-13
Te
e
m
u
Murtola
Make (most) HTML lin
k
s t
o
fi
l
e f
o
rm
a
t
s wor
k
again
commit
|
commitdiff
|
tree
2015-02-13
T
e
e
m
u
Murt
o
la
C
o
n
v
ert file fo
r
ma
t
descripti
o
ns to rst
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Ge
n
erate man p
a
ges th
r
o
ugh Sphinx
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Replac
e
too
l
HTML
h
elp wi
t
h Sphinx-generated
doc
s
commit
|
commitdiff
|
tree
2015-02-07
Te
e
mu Murtola
Suppor
t
m
ore complex fixed position
selectio
n
s
commit
|
commitdiff
|
tree
2015-01-29
T
e
emu Murtol
a
Add input
file opti
o
ns that acc
e
pt mi
s
sing file
s
commit
|
commitdiff
|
tree
2015-01-24
Teemu
M
urt
o
la
Remo
v
e o
l
d selection parser error handl
i
ng code
commit
|
commitdiff
|
tree
2015-01-24
Teem
u
Murtola
Improve sele
c
ti
o
n
error
m
essag
e
s (use
exceptions)
commit
|
commitdiff
|
tree
2015-01-23
Teemu Murtola
I
gnore
t
est-only dependency cycles
commit
|
commitdiff
|
tree
2015-01-20
T
e
emu
M
u
rtol
a
Mak
e
dat
a
f
i
l
e
path sear
c
h more reu
s
a
b
le
commit
|
commitdiff
|
tree
2015-01-20
Teemu M
u
rto
l
a
Conver
t
f
o
r
cefie
l
d s
e
arch to C
+
+
commit
|
commitdiff
|
tree
2015-01-19
Tee
m
u Murtola
Remove AnalysisNeigh
b
orhood::
s
etUseBoundin
g
Box()
commit
|
commitdiff
|
tree
2015-01-17
Teemu
M
u
r
tola
Merge "Merge bra
n
ch
r
elease-5-0"
commit
|
commitdiff
|
tree
2015-01-08
Teemu M
u
rto
l
a
Refactor l
o
g
ic
f
or finding sh
a
re/top
/
f
i
les
commit
|
commitdiff
|
tree
2015-01-08
T
e
emu Mu
r
tola
C
l
o
sed some
.
xvg
f
i
l
es that were being left ope
n
commit
|
commitdiff
|
tree
2015-01-07
Te
e
mu
M
urtola
Custom program context for u
n
i
t
tests
commit
|
commitdiff
|
tree
2015-01-07
T
eemu Mu
r
tola
Split unit test
init from te
s
topt
i
o
n
s
.
cpp
commit
|
commitdiff
|
tree
2015-01-06
Teemu Murtola
Use analysis nbs
e
a
rch
for surface area calcul
a
t
i
on
commit
|
commitdiff
|
tree
2015-01-06
Teemu
M
u
r
tola
Us
e
xvgr
c
lose() for file
s
opene
d
wi
t
h x
v
gropen
(
)
commit
|
commitdiff
|
tree
2015-01-05
Teemu Murtola
Suppo
r
t s
u
bs
e
t of rv
e
c array as input for analys
i
s
.
.
.
commit
|
commitdiff
|
tree
2015-01-05
Te
e
mu Murt
o
l
a
Minima
l
C++ replace
m
ent for rvec
commit
|
commitdiff
|
tree
2015-01-05
Teemu Mu
r
tol
a
Cla
r
ify
GMX_MPI
management
commit
|
commitdiff
|
tree
2015-01-03
Teemu Murtola
Min
o
r
selec
t
ion clarifications
commit
|
commitdiff
|
tree
2015-01-03
Teemu M
u
rtola
Fix crash with 'z
o
f
.
.
.
' within an expres
s
ion
commit
|
commitdiff
|
tree
2015-01-02
Te
e
mu Murtola
Up
d
ate copy
r
ight y
e
ar in copyr
i
te
.
cp
p
commit
|
commitdiff
|
tree
2014-12-28
Teemu Murt
o
la
Convert gm
x
-insert-molecules into proper C++ mod
u
le
commit
|
commitdiff
|
tree
2014-12-28
Teemu Murtola
Add
h
elp
e
r
f
o
r
g
e
neric
C
+
+
command-line modules
commit
|
commitdiff
|
tree
2014-12-18
Teemu Murtola
Rework
g
mx-solvate to
u
se ana
l
y
s
is
n
b
search
commit
|
commitdiff
|
tree
2014-12-17
Teemu Murtola
Make 'gmx sasa'
calculation
t
hread-safe
commit
|
commitdiff
|
tree
2014-12-17
T
eemu Murtola
R
e
m
ove some
b
ackwards-compati
b
ility glue
f
or
Jenki
n
s
commit
|
commitdiff
|
tree
2014-12-16
Teemu Murtola
Make
'
gmx sa
s
a' volume computation transl
a
tion-invariant
commit
|
commitdiff
|
tree
2014-12-15
T
e
e
m
u Murtola
Use ne
w
XML f
o
rmat wit
h
c
p
pchec
k
commit
|
commitdiff
|
tree
2014-12-14
Te
e
mu Mur
t
ola
C++ interface
f
o
r
s
urfa
c
e ar
e
a calculatio
n
commit
|
commitdiff
|
tree
2014-12-11
Teemu Murtola
Convert gmx rdf
t
o the C++ fram
e
work
commit
|
commitdiff
|
tree
2014-12-10
T
eemu Mur
t
ola
F
i
x m
i
sc
.
analysis nei
g
hborhood sear
c
h issues
commit
|
commitdiff
|
tree
2014-12-09
Te
e
m
u
Mu
r
tola
Trac
k
locatio
n
s
for
selection
pars
i
ng pr
o
du
c
ts
commit
|
commitdiff
|
tree
2014-12-08
Tee
m
u
Mur
t
ola
Rect
a
ngular grid
f
o
r
analysi
s
nbsearch
commit
|
commitdiff
|
tree
2014-12-06
Te
e
mu Murtola
S
i
mplify analysis
d
ata p
a
rall
e
lism
mod
e
l
commit
|
commitdiff
|
tree
2014-12-05
Teemu
Murtola
Improve s
e
l
e
ctio
n
parsing
e
rror re
p
orti
n
g
commit
|
commitdiff
|
tree
2014-12-05
Teemu Murtola
Non-periodic n
b
s
e
arc
h
with gr
i
d ba
s
ed on boundin
g
box
commit
|
commitdiff
|
tree
2014-12-04
Teemu Mur
t
ola
Mo
v
e
/
add
u
ncrustify docum
e
n
t
ation to d
e
v manua
l
commit
|
commitdiff
|
tree
2014-12-02
Teemu Murtol
a
Add 'gm
x
pair
d
ist' t
o
o
l as
part
i
al g_min
d
ist replacement
commit
|
commitdiff
|
tree
2014-12-02
Teemu Murtola
Analysis
grid nb
s
earch for
more cases
commit
|
commitdiff
|
tree
2014-11-29
T
e
emu
M
urto
l
a
Basic
s
upport for
'z of
.
.
.
' selections
commit
|
commitdiff
|
tree
2014-11-28
T
e
emu M
u
rtola
C
l
arify me
m
o
r
y manage
m
ent f
o
r selection values
commit
|
commitdiff
|
tree
2014-11-28
Teemu
M
urtola
Helpe
r
function for
grouping s
e
lection positions
commit
|
commitdiff
|
tree
2014-11-27
Teem
u
M
urto
l
a
Clean up g
m
x
solvate
commit
|
commitdiff
|
tree
2014-11-27
Teemu
M
urtola
Port gmx-solvate tests to
us
e
Comman
d
LineTestBase
commit
|
commitdiff
|
tree
2014-11-27
Teem
u
M
urt
o
la
M
ore co
n
t
r
ol over file bac
k
ups
commit
|
commitdiff
|
tree
2014-11-27
Tee
m
u
M
urtola
Further i
n
sert-molec
u
les cleanup
commit
|
commitdiff
|
tree
2014-11-26
Teemu Murtola
Convert surface area calcula
t
ion
t
o
C
++
commit
|
commitdiff
|
tree
2014-11-26
T
e
emu Murtola
Add som
e
unit
t
ests for
s
urface area calculatio
n
commit
|
commitdiff
|
tree
2014-11-23
Teemu Murto
l
a
R
ename doc-
*
targets t
o
b
e less
gene
r
ic
commit
|
commitdiff
|
tree
2014-11-21
Teemu Murto
l
a
D
e
scribe doc-ch
e
ck in developer m
a
nual
commit
|
commitdiff
|
tree
2014-11-21
T
e
e
mu Murtola
Skeleton for
a
d
evelop
e
r manual
commit
|
commitdiff
|
tree
2014-11-14
Teem
u
Murtola
Refacto
r
position-evaluated sele
c
tion key
w
o
r
d
h
a
ndl
i
ng
commit
|
commitdiff
|
tree
2014-10-30
T
eemu Murtola
Add more
s
e
l
ection uni
t
t
e
sts
commit
|
commitdiff
|
tree
2014-10-30
Teemu Murtola
F
ix
m
o
re
m
emory leaks in
default group cre
a
ti
o
n
commit
|
commitdiff
|
tree
2014-10-30
Teemu Murt
o
la
Fi
x
m
e
m
or
y
leak in
d
efault index group
c
rea
t
io
n
commit
|
commitdiff
|
tree
2014-10-29
T
eemu Mu
r
tola
M
e
rge release-5-
0
into m
a
ste
r
commit
|
commitdiff
|
tree
2014-10-29
Teemu Murt
o
l
a
Imp
r
ove
a
nal
y
si
s
nbsearch grid mapping
commit
|
commitdiff
|
tree
2014-10-28
Teemu Murt
o
la
Avoid common
.
h inclusion in CUDA c
o
de
commit
|
commitdiff
|
tree
2014-10-23
Teemu Murtol
a
Move truncate() wrapper to futi
l
.
h
commit
|
commitdiff
|
tree
2014-10-23
Teemu Murto
l
a
Encapsula
t
e use of
nic
e
()
commit
|
commitdiff
|
tree
2014-10-22
Te
e
m
u Murto
l
a
Col
l
ect more platfor
m
-
s
p
e
c
i
f
i
c
code
t
o s
y
s
i
nfo
.
h
commit
|
commitdiff
|
tree
2014-10-22
Teemu Murtola
Renam
e
com
m
on
.
h to classhelpers
.
h
commit
|
commitdiff
|
tree
2014-10-22
Teemu M
u
rtola
Mov
e
basic m
a
cros from
common
.
h to base
d
efinitions
.
h
commit
|
commitdiff
|
tree
2014-10-14
Teemu Murtola
Check config
.
h us
a
ge
i
n doc-
c
heck
commit
|
commitdiff
|
tree
2014-10-14
Tee
m
u Murtola
Use
a
n
al
y
sis
nb
s
earch in insert-mole
c
ule
s
commit
|
commitdiff
|
tree
2014-10-11
Tee
m
u Mur
t
ola
Clean up gmx insert-molecules
commit
|
commitdiff
|
tree
2014-10-11
Teemu Murt
o
l
a
Mak
e
'gmx inse
r
t
-
molecu
l
es' tests test output
commit
|
commitdiff
|
tree
2014-10-11
Teemu Mur
t
ola
Generalize
c
o
m
m
a
nd
-
li
n
e unit testi
n
g m
a
ch
i
nery
commit
|
commitdiff
|
tree
2014-10-03
Teemu Murtol
a
M
or
e
robust
h
andling f
o
r
install
e
d
header
s
commit
|
commitdiff
|
tree
2014-09-23
Te
e
mu Murtola
Reo
r
g
a
nize
C
P
ack
m
anagement
commit
|
commitdiff
|
tree
2014-09-23
Te
e
mu Mur
t
ola
Gene
r
ate man pages and comp
l
etions by
d
efault
if poss
i
ble
commit
|
commitdiff
|
tree
2014-09-22
Teem
u
Murtola
Merge "
M
er
g
e release-5-
0
i
nto master"
commit
|
commitdiff
|
tree
2014-09-21
Tee
m
u Murtola
Intro
d
uce a
variable
to ide
n
t
i
fy in-source
b
uild
commit
|
commitdiff
|
tree
2014-09-21
Teemu Mu
r
to
l
a
Skip
m
an/html/compl
e
tion generation if not needed
commit
|
commitdiff
|
tree
2014-09-20
Teem
u
Murtola
Re
m
ove duplicatio
n
in
ve
r
sio
n
i
n
fo t
a
r
g
et cr
e
ation
commit
|
commitdiff
|
tree
2014-09-20
T
e
e
m
u Murto
l
a
Fix patterns for
.
git
a
ttributes
commit
|
commitdiff
|
tree
2014-09-19
Teemu M
u
rtola
Proper depen
d
encies for Doxygen
build
rules
commit
|
commitdiff
|
tree
2014-09-19
Te
e
mu M
u
r
t
ola
Fix histogram resampling output bin positions
commit
|
commitdiff
|
tree
2014-09-19
Teemu Murtola
Embed mod
u
le dependency graph in
Doxygen
docs
commit
|
commitdiff
|
tree
2014-09-19
Teemu
M
urtola
Add support for cumulative
h
istogra
m
s
commit
|
commitdiff
|
tree
2014-09-19
Te
e
mu Murtola
Mor
e
precise analysisdata h
i
stogr
a
m accumulation
commit
|
commitdiff
|
tree
2014-09-19
T
eemu Murtola
Misc
.
Doxygen bu
i
ld system
i
mpr
o
v
ements
commit
|
commitdiff
|
tree
2014-09-13
Teemu Murtol
a
Exte
n
d support for
fl
o
at/
d
o
uble t
o
ler
a
nces in testing
commit
|
commitdiff
|
tree
2014-09-13
Teemu Murtola
Declare __STD
C
_*_M
A
CROS in
gmxpre
.
h
commit
|
commitdiff
|
tree
2014-09-12
Teemu Murto
l
a
Run include order check in doc-ch
e
ck
commit
|
commitdiff
|
tree
2014-09-11
Teemu M
u
r
t
ol
a
I
m
prove un
c
r
us
t
ify
.
sh r
e
turn code han
d
ling
commit
|
commitdiff
|
tree
2014-09-11
Teemu Murt
o
l
a
Inclu
d
e d
i
rect
i
v
e sorter
commit
|
commitdiff
|
tree
2014-09-11
Teemu
M
urtola
A
dd gmx
_
g
etpid
(
)
commit
|
commitdiff
|
tree
2014-09-11
Teem
u
Murtola
Move _
G
NU_SOURCE to gmxpre
.
h
commit
|
commitdiff
|
tree
2014-09-11
Teemu Murt
o
l
a
Sort includes
o
u
t
s
i
de sr
c
/gromacs
commit
|
commitdiff
|
tree
2014-09-11
Teem
u
M
u
r
tola
So
r
t al
l
inc
l
udes in src/gromacs
commit
|
commitdiff
|
tree
2014-09-11
Teemu Murt
o
la
Use absolute include paths in nbnxn ke
r
n
e
ls
commit
|
commitdiff
|
tree
2014-09-11
T
e
e
mu
M
urtol
a
Manually sort some includes in
s
rc/gromacs
commit
|
commitdiff
|
tree
2014-09-08
T
eemu Murtola
Support custom
d
efa
u
l
t
extension for
F
i
leNameOption
commit
|
commitdiff
|
tree
next