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Correct CUDA version comparisons
2015-10-14
Teemu Murtola
M
ake
bash c
o
mpletions work with
bash --posix
commit
|
commitdiff
|
tree
2015-10-02
Teemu Murtola
F
i
x
-selty
p
e
option for C++ to
o
l
s
commit
|
commitdiff
|
tree
2015-07-20
Teemu Murtola
M
erge release-
5
-0 in
t
o r
e
leas
e
-5-1
commit
|
commitdiff
|
tree
2015-07-09
Te
e
mu Murtola
Fix -deffnm
-multi[dir]
commit
|
commitdiff
|
tree
2015-07-04
Teemu Murtola
F
i
x copy-paste bug in gmx distance
commit
|
commitdiff
|
tree
2015-07-02
Teem
u
Murtola
Re
m
ove status messages
about S
p
hinx detect
i
on
commit
|
commitdiff
|
tree
2015-06-29
Teemu Murtola
Only accept
e
xact matches for selecti
o
n
k
e
y
w
o
r
ds
commit
|
commitdiff
|
tree
2015-06-29
Te
e
mu Mu
r
tola
Make some unit tests skip
file system access
commit
|
commitdiff
|
tree
2015-06-27
Teemu Murto
l
a
D
o
cument
tool changes in 5
.
1
commit
|
commitdiff
|
tree
2015-06-25
Teemu Mur
t
o
l
a
Mov
e
documentation on tool changes
from
w
i
k
i
commit
|
commitdiff
|
tree
2015-06-17
T
e
e
m
u Mur
t
o
l
a
Mi
n
or cl
e
an up for refdata
.
*
commit
|
commitdiff
|
tree
2015-06-17
Teemu M
u
rtola
Improve logic for automatic
selection names
commit
|
commitdiff
|
tree
2015-06-16
T
e
emu
M
ur
t
ola
Fix
b
roke
n
lin
k
s from the o
l
d
f
low chart
commit
|
commitdiff
|
tree
2015-06-12
Teemu Murtol
a
Updat
e
help output
commit
|
commitdiff
|
tree
2015-06-12
T
eemu Murtola
I
m
prove uncrustify J
e
nkins
b
uilds
commit
|
commitdiff
|
tree
2015-06-12
Tee
m
u Murtola
Initial docs f
o
r Jenk
i
ns i
n
teg
r
atio
n
commit
|
commitdiff
|
tree
2015-06-12
Teemu Murtola
Initial b
u
ild
s
ys
t
em documentation in dev guide
commit
|
commitdiff
|
tree
2015-06-12
Te
e
mu
Murtola
Improve Jenkins
docs
b
uild
commit
|
commitdiff
|
tree
2015-06-12
Teemu Murto
l
a
Ext
e
nd s
o
urce la
y
out des
c
r
i
pt
i
on in dev
g
uid
e
commit
|
commitdiff
|
tree
2015-06-11
Teemu Murt
o
la
S
cript for
J
enkins documentation b
u
ild
commit
|
commitdiff
|
tree
2015-06-09
T
e
emu Murtola
Mis
c
.
im
p
rove
m
e
nts
t
o
do
c
s b
u
ild system
commit
|
commitdiff
|
tree
2015-06-09
T
eemu Murtola
Add
descriptio
n
o
f
re
l
o
c
atable
b
i
n
aries
commit
|
commitdiff
|
tree
2015-06-09
Teemu Murto
l
a
Resolve
one TODO for c
o
mm
a
nd line help tests
commit
|
commitdiff
|
tree
2015-06-09
Teemu Murtola
Improve
u
s
e
r
g
u
ide tex
t
f
o
r c
o
mmand li
n
e inte
r
face
commit
|
commitdiff
|
tree
2015-06-04
Teemu Murtola
F
i
x
p
otential FPE i
n
s
election te
s
ts
commit
|
commitdiff
|
tree
2015-06-04
Teemu
Murtola
Refactor
rst parsin
g
fo
r
cons
o
le output
commit
|
commitdiff
|
tree
2015-06-04
T
e
emu M
u
rtola
Replace gromacs
.
7 man p
a
ge with gmx
.
1
commit
|
commitdiff
|
tree
2015-06-04
Te
e
mu Murt
o
l
a
Do
c
um
e
nt
current help
form
a
tting
commit
|
commitdiff
|
tree
2015-06-04
T
e
e
mu M
u
r
t
o
la
Basic support for titles wit
h
i
n tool
help
commit
|
commitdiff
|
tree
2015-06-04
T
e
emu Mu
r
tola
Su
p
p
ort rst t
a
b
les
in tool
hel
p
t
e
x
ts
commit
|
commitdiff
|
tree
2015-05-28
Te
e
m
u
Murtola
I
m
prove
l
ists in user guide for selections
commit
|
commitdiff
|
tree
2015-05-28
Teemu Murt
o
l
a
Additional selection exampl
e
s
commit
|
commitdiff
|
tree
2015-05-25
Teemu Murt
o
la
O
verview doc
s
f
o
r analysis n
b
searc
h
commit
|
commitdiff
|
tree
2015-05-24
Teemu
M
urtola
Inc
l
ude selection
k
eyword
d
etails i
n
user
g
uide
commit
|
commitdiff
|
tree
2015-05-22
Teemu
Murto
l
a
Allow any order
f
or sect
i
ons in 'gm
x
help -ex
p
or
t
'
commit
|
commitdiff
|
tree
2015-05-22
Teem
u
Murtola
Bas
e
t
o get all '
g
mx help'
c
ont
e
n
t
s to user guide
commit
|
commitdiff
|
tree
2015-05-22
Teem
u
Murtola
Merge release-5-0 into
mast
e
r
commit
|
commitdiff
|
tree
2015-05-22
Teemu Murt
o
la
Avoid cr
a
sh with empty re
f
e
ren
c
e
for '
s
a
me as' selection
commit
|
commitdiff
|
tree
2015-05-22
Teemu Murtol
a
Add subse
c
tion depth to
H
elpWriterCo
n
text
commit
|
commitdiff
|
tree
2015-05-22
Teemu Murtol
a
A
d
d note about atom order in selections
commit
|
commitdiff
|
tree
2015-05-21
Teemu Murto
l
a
Restruct
u
re CommandLineModuleManager tests
commit
|
commitdiff
|
tree
2015-05-20
Teemu
Murtola
Fix handli
n
g
of real-val
u
ed 'to' selection r
a
n
g
e
s
commit
|
commitdiff
|
tree
2015-05-20
Teemu Murtola
Fix dependencies fo
r
regre
s
sion test c
u
s
t
om
t
arget
commit
|
commitdiff
|
tree
2015-05-20
Teemu
M
urtola
So
m
e
tests for 'gmx help -export
rst'
commit
|
commitdiff
|
tree
2015-05-18
Te
e
mu Murtol
a
Merge "Me
r
ge b
r
anch origi
n
/releas
e
-5
-
0"
commit
|
commitdiff
|
tree
2015-05-17
Teemu Murtola
Move a few de
f
ines to bui
l
dinfo
.
h
commit
|
commitdiff
|
tree
2015-05-13
T
e
em
u
M
urtola
Rem
o
ve rem
a
ining o
l
d-ht
m
l content
commit
|
commitdiff
|
tree
2015-05-11
T
eemu Murtola
Use single v
a
ri
a
ble for expected Doxygen
version
commit
|
commitdiff
|
tree
2015-05-10
Teemu Murtola
Mo
v
e
some testuti
l
s and ov
e
rvie
w
docs
to dev gui
d
e
commit
|
commitdiff
|
tree
2015-05-10
Teemu Murtola
Print corre
c
t order fo
r
include ord
e
r/style
issues
commit
|
commitdiff
|
tree
2015-05-10
T
e
emu
Mu
r
tola
Improve
b
u
ild system for
Sphin
x
commit
|
commitdiff
|
tree
2015-05-10
Teemu Murt
o
la
Conve
r
t developer manual to rst
commit
|
commitdiff
|
tree
2015-05-05
Teemu Murtola
Avoid ro
u
nd
i
ng err
o
rs affe
c
ting results in o
n
e
test
commit
|
commitdiff
|
tree
2015-04-24
Teemu Murtola
Add se
c
t
ion on nam
i
n
g conv
e
ntions
to dev
m
anual
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Replace
more [BR] with rst bulle
t
l
is
t
s
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Replac
e
som
e
[BR
]
in help
t
e
xt
s
with
r
s
t
literals
commit
|
commitdiff
|
tree
2015-02-13
T
e
em
u
Murtola
Move flow chart f
r
om o
l
d
-
html to Sphinx
commit
|
commitdiff
|
tree
2015-02-13
T
eemu
Murtola
Make
(most) HTML links
to file formats
w
ork aga
i
n
commit
|
commitdiff
|
tree
2015-02-13
Teemu
Murtola
Convert file f
o
r
m
at descriptions to
r
st
commit
|
commitdiff
|
tree
2015-02-13
Teemu M
u
r
t
ola
Generate m
a
n pages through Sphin
x
commit
|
commitdiff
|
tree
2015-02-13
Teemu M
u
rtola
Re
p
la
c
e tool
HTML help wit
h
Sphinx-ge
n
erated docs
commit
|
commitdiff
|
tree
2015-02-07
Teemu Murtola
S
upport mor
e
complex fixed
position selec
t
i
ons
commit
|
commitdiff
|
tree
2015-01-29
Teemu Murtola
Add input f
i
le options that accept missing fil
e
s
commit
|
commitdiff
|
tree
2015-01-24
Teemu
M
u
rtola
Rem
o
ve
o
ld selection parser erro
r
handling cod
e
commit
|
commitdiff
|
tree
2015-01-24
T
e
emu Murtol
a
Improve sele
c
tion error m
e
s
s
age
s
(use exceptions)
commit
|
commitdiff
|
tree
2015-01-23
Teemu Murto
l
a
Ignore te
s
t-o
n
ly dependency cycles
commit
|
commitdiff
|
tree
2015-01-20
Teemu Murtola
Make data file
path
se
a
r
c
h m
o
re reus
a
ble
commit
|
commitdiff
|
tree
2015-01-20
Te
e
mu Murt
o
l
a
Convert forcefie
l
d
s
e
arch to
C
++
commit
|
commitdiff
|
tree
2015-01-19
Teemu Murtol
a
Remove Anal
y
sisNeighbo
r
h
ood::setU
s
e
B
oundingBo
x
()
commit
|
commitdiff
|
tree
2015-01-17
Teemu Mur
t
o
la
Merge "M
e
rg
e
branch rel
e
a
se-5-0"
commit
|
commitdiff
|
tree
2015-01-08
Teemu Murtola
Refactor logic fo
r
f
i
nd
i
ng share/to
p
/ fil
e
s
commit
|
commitdiff
|
tree
2015-01-08
Teemu Mur
t
ola
C
losed
s
om
e
.
xvg
files
t
hat were being left open
commit
|
commitdiff
|
tree
2015-01-07
Te
e
mu
Murtola
Cust
o
m program cont
e
xt fo
r
unit tests
commit
|
commitdiff
|
tree
2015-01-07
Teemu Mur
t
ola
Split unit test i
n
it fr
o
m testoptions
.
cpp
commit
|
commitdiff
|
tree
2015-01-06
Teemu Mur
t
ola
Use an
a
ly
s
i
s nbsearch for surface area calculatio
n
commit
|
commitdiff
|
tree
2015-01-06
Teemu M
u
r
t
ola
Use xvgrclose() for files opened with xvgropen()
commit
|
commitdiff
|
tree
2015-01-05
Teemu Murtola
Support
subset o
f
r
vec ar
r
ay as input for analysis
.
.
.
commit
|
commitdiff
|
tree
2015-01-05
T
eemu Murtola
Mini
m
al C++
r
eplaceme
n
t for rvec
commit
|
commitdiff
|
tree
2015-01-05
Teemu Murtola
C
l
ari
f
y GMX_MPI mana
g
ement
commit
|
commitdiff
|
tree
2015-01-03
T
eem
u
M
u
rtola
Mi
n
or
selection clari
f
icat
i
on
s
commit
|
commitdiff
|
tree
2015-01-03
Tee
m
u M
u
rto
l
a
F
i
x
crash
w
ith '
z
of
.
.
.
'
w
ithin an
expression
commit
|
commitdiff
|
tree
2015-01-02
T
eemu
Mu
r
tola
Upda
t
e
copyright
y
ear in cop
y
rite
.
cpp
commit
|
commitdiff
|
tree
2014-12-28
Tee
m
u
Murtola
Con
v
ert
gmx
-
i
n
s
e
rt-molecule
s
i
n
to proper C
+
+ module
commit
|
commitdiff
|
tree
2014-12-28
Teemu Murtola
Add helper f
o
r generic C++ co
m
mand
-
line
mo
d
u
l
es
commit
|
commitdiff
|
tree
2014-12-18
Teem
u
M
urtola
Rework gmx-solvate to use an
a
lysis nb
s
earch
commit
|
commitdiff
|
tree
2014-12-17
Teemu Murtola
Make 'gmx sasa'
c
al
c
ulation thread-saf
e
commit
|
commitdiff
|
tree
2014-12-17
Teemu Murt
o
l
a
R
e
m
o
v
e
some ba
c
k
wards-compatibility glue for Jenki
n
s
commit
|
commitdiff
|
tree
2014-12-16
Teemu
Murtola
Make
'gmx sasa' volume computati
o
n trans
l
ati
o
n-i
n
var
i
ant
commit
|
commitdiff
|
tree
2014-12-15
T
eemu Murt
o
la
Use
n
ew XML for
m
a
t
with cppcheck
commit
|
commitdiff
|
tree
2014-12-14
Tee
m
u Murtola
C++
interface for sur
f
ace area calculation
commit
|
commitdiff
|
tree
2014-12-11
Teemu Murtol
a
C
onvert gm
x
r
df to
t
he
C
+
+
f
r
amework
commit
|
commitdiff
|
tree
2014-12-10
T
eemu
M
urto
l
a
Fix mis
c
.
ana
l
ysi
s
neighbor
h
ood se
a
r
c
h
issu
e
s
commit
|
commitdiff
|
tree
2014-12-09
Teemu Murtola
Track locat
i
ons for
se
l
ection parsing products
commit
|
commitdiff
|
tree
2014-12-08
Teemu Murtola
Rect
a
ngular gr
i
d for analysis
n
b
se
a
r
ch
commit
|
commitdiff
|
tree
2014-12-06
Teemu Murtol
a
Simplify analysisdata p
a
rallelism model
commit
|
commitdiff
|
tree
2014-12-05
Teemu Murt
o
la
I
mp
r
ove selection parsing e
r
r
or reporting
commit
|
commitdiff
|
tree
2014-12-05
Teemu
M
urtol
a
Non-per
i
odic n
b
search
with g
r
id ba
s
ed o
n
boun
d
ing box
commit
|
commitdiff
|
tree
2014-12-04
Teemu Murtola
Move/add uncrust
i
fy
d
ocumentation
t
o de
v
manual
commit
|
commitdiff
|
tree
2014-12-02
Teemu Murtol
a
Add 'gmx pairdist' to
o
l as
par
t
ial
g_mindist replaceme
n
t
commit
|
commitdiff
|
tree
2014-12-02
Tee
m
u Murtola
Ana
l
ysis grid nbs
e
arch
f
or more
c
a
s
e
s
commit
|
commitdiff
|
tree
next