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Work around memory leak in t_state
2015-07-22
Teem
u
Murtola
S
plit g96
I/O
routines from
c
onfio
.
cpp
commit
|
commitdiff
|
tree
2015-07-22
Teemu
M
u
r
t
ola
Move re
a
d_tps_conf() to confi
o
.
h
commit
|
commitdiff
|
tree
2015-07-22
T
e
emu Murtola
Ad
d
basic tes
t
s for r
e
a
d
ing/writing st
r
ucture files
commit
|
commitdiff
|
tree
2015-07-20
Teemu Murtola
Merge r
e
le
a
s
e-
5
-0 into release-5-1
commit
|
commitdiff
|
tree
2015-07-10
T
e
e
m
u Mur
t
ola
More gmxfi
o
simplifi
c
ation
commit
|
commitdiff
|
tree
2015-07-09
T
eemu Murtola
Fix -deff
n
m -multi[
d
ir]
commit
|
commitdiff
|
tree
2015-07-04
Teem
u
Murtola
Fix error wra
p
ping in interactive selection input
commit
|
commitdiff
|
tree
2015-07-04
Teemu Murtola
Te
s
ts fo
r
inter
a
ctive se
l
ection i
n
put
commit
|
commitdiff
|
tree
2015-07-04
Tee
m
u Murtola
Fix c
o
py-paste b
u
g in gmx distance
commit
|
commitdiff
|
tree
2015-07-04
T
e
emu Murtola
Refact
o
r for testing intera
c
t
ive
se
l
ection
i
nput
commit
|
commitdiff
|
tree
2015-07-04
Tee
m
u Murtola
Remove gmx::
F
ile (except
f
or Fil
e
::ex
i
st
s
())
commit
|
commitdiff
|
tree
2015-07-04
Teemu Murtola
Replace direct us
e
s of gmx
:
:File with s
t
rea
m
s
commit
|
commitdiff
|
tree
2015-07-02
Teemu
M
ur
t
ola
Convert gmxfio to C
+
+
commit
|
commitdiff
|
tree
2015-07-02
Teemu Murtola
Clean up gmxfio includ
e
s
commit
|
commitdiff
|
tree
2015-07-02
T
e
emu Murtola
Reorder cod
e
wi
t
h
in gmxfio
commit
|
commitdiff
|
tree
2015-07-02
Teem
u
Mur
t
o
la
Furthe
r
gmxfio cleanup relate
d
to xd
r
handling
commit
|
commitdiff
|
tree
2015-06-16
Teem
u
M
urtola
Fix
b
r
oken links from the old fl
o
w chart
commit
|
commitdiff
|
tree
2015-06-12
Te
e
mu Murtola
Improve uncrustify J
e
nkins bui
l
ds
commit
|
commitdiff
|
tree
2015-06-09
T
e
emu Murt
o
la
Add descripti
o
n of relo
c
at
a
ble b
i
n
a
ries
commit
|
commitdiff
|
tree
2015-06-04
T
eemu
M
u
rt
o
la
Refactor r
s
t
pa
r
sing for cons
o
le
ou
t
put
commit
|
commitdiff
|
tree
2015-06-04
Teem
u
Murt
o
la
R
ep
l
a
ce gromacs
.
7
man p
a
ge wi
t
h
gm
x
.
1
commit
|
commitdiff
|
tree
2015-06-04
T
e
emu Murtola
Docum
e
n
t curr
e
nt help form
a
tting
commit
|
commitdiff
|
tree
2015-06-04
Tee
m
u Murtola
Basic sup
p
o
rt for
titles
w
ithin
tool help
commit
|
commitdiff
|
tree
2015-05-27
Mark Abraham
F
i
x warnings from GCC 5
commit
|
commitdiff
|
tree
2015-05-25
Teemu M
u
rtola
O
verview
d
o
cs for
a
nalysis nbsearch
commit
|
commitdiff
|
tree
2015-05-22
T
eemu
Murtola
Allow
a
ny order for
s
ect
i
ons in 'gmx help -exp
o
rt'
commit
|
commitdiff
|
tree
2015-05-22
Teemu M
u
rtola
Merge
r
el
e
ase-
5
-0 i
n
to master
commit
|
commitdiff
|
tree
2015-05-20
Tee
m
u M
u
rtola
Fix handling o
f
real-valued
't
o
' sel
e
ction ranges
commit
|
commitdiff
|
tree
2015-05-11
Teem
u
Murtola
Us
e
sing
l
e variable for expect
e
d Doxygen
version
commit
|
commitdiff
|
tree
2015-05-10
Teemu Murtola
M
o
v
e
some
test
u
tils and
o
verview docs to dev guide
commit
|
commitdiff
|
tree
2015-04-24
Mark Ab
r
aham
Add developer do
c
s for n
e
w documentati
o
n
infr
a
s
t
ructure
commit
|
commitdiff
|
tree
2015-04-24
Teemu Murt
o
la
Add
s
ection on naming
conv
e
ntion
s
to dev m
a
nual
commit
|
commitdiff
|
tree
2015-02-13
T
eem
u
M
urtola
Replace som
e
[BR] in help texts with rst l
i
tera
l
s
commit
|
commitdiff
|
tree
2015-01-24
Teemu Murtola
Remove
old selecti
o
n
p
arse
r
error
h
andling
code
commit
|
commitdiff
|
tree
2015-01-07
Teemu Murt
o
la
Custo
m
progr
a
m context for unit
t
ests
commit
|
commitdiff
|
tree
2015-01-06
T
e
emu Murtola
Use
x
vgrclose
(
) for fi
l
e
s
opened with xvgropen()
commit
|
commitdiff
|
tree
2015-01-02
Teemu M
u
rtola
Up
d
ate co
p
yright year in c
o
pyr
i
te
.
cpp
commit
|
commitdiff
|
tree
2014-12-28
Teemu
M
urto
l
a
Conve
r
t gmx-insert
-
molecules into prope
r
C++ module
commit
|
commitdiff
|
tree
2014-12-18
Teemu Murtola
Rework gmx
-
s
o
lvate to u
s
e
a
n
aly
s
is nbsearch
commit
|
commitdiff
|
tree
2014-12-14
Teemu Murtola
C
+
+ interface for surface area
c
a
lculati
o
n
commit
|
commitdiff
|
tree
2014-11-27
T
e
emu Murto
l
a
Clean
u
p gmx solv
a
te
commit
|
commitdiff
|
tree
2014-11-27
Teem
u
Murtola
More control over file backups
commit
|
commitdiff
|
tree
2014-11-26
Tee
m
u Murt
o
la
Convert surface area
calculat
i
o
n to C++
commit
|
commitdiff
|
tree
2014-11-21
Teemu Murtola
Describe
d
oc
-
che
c
k in
develope
r
manual
commit
|
commitdiff
|
tree
2014-10-30
Tee
m
u Mu
r
tola
Add more
selection un
i
t tests
commit
|
commitdiff
|
tree
2014-10-30
Teemu
M
u
r
tola
Fix more memory
leaks
in
d
efault
group c
r
e
ation
commit
|
commitdiff
|
tree
2014-10-29
Teemu Mur
t
ola
Mer
g
e release-5-0 into master
commit
|
commitdiff
|
tree
2014-10-28
Teemu Murtola
Avoid comm
o
n
.
h inc
l
usion
i
n CUDA cod
e
commit
|
commitdiff
|
tree
2014-10-23
Teem
u
Murtola
M
ove truncate() wra
p
per to
futil
.
h
commit
|
commitdiff
|
tree
2014-10-23
Tee
m
u Murtola
Encapsulate use of nice(
)
commit
|
commitdiff
|
tree
2014-10-22
Teemu Murtola
Collect more p
l
atfor
m
-speci
f
ic code to sysinfo
.
h
commit
|
commitdiff
|
tree
2014-10-22
Teemu Murtol
a
Rename
common
.
h
to clas
s
helper
s
.
h
commit
|
commitdiff
|
tree
2014-10-14
Teemu
Murtola
Check config
.
h us
a
ge
i
n doc-check
commit
|
commitdiff
|
tree
2014-09-21
Teem
u
M
urtola
Int
r
od
u
c
e a v
a
riable to identif
y
in-s
o
urce b
u
ild
commit
|
commitdiff
|
tree
2014-09-21
Teemu Murtola
S
k
i
p man/html/completion
g
enerat
i
on if not
n
e
e
ded
commit
|
commitdiff
|
tree
2014-09-13
Teemu Murtola
Extend s
u
pport for
f
loat
/
doub
l
e to
l
erance
s
in tes
t
ing
commit
|
commitdiff
|
tree
2014-09-12
Te
e
mu Mu
r
tola
Run inc
l
u
de order che
c
k in doc-c
h
eck
commit
|
commitdiff
|
tree
2014-09-05
T
e
emu Murtola
R
emove unnecessary config
.
h include
s
commit
|
commitdiff
|
tree
2014-09-05
Teemu Murt
o
la
Move some defines to gmxpre
.
h for thr
e
ad-M
P
I
commit
|
commitdiff
|
tree
2014-09-04
T
eem
u
Murtola
Include con
f
i
g
.
h d
i
rectly if used
commit
|
commitdiff
|
tree
2014-08-23
Mark Abraham
Generalize markd
o
wn configurat
i
on machinery
commit
|
commitdiff
|
tree
2014-08-22
Teemu Murtol
a
Mo
v
e -ni
c
e
h
andling to CommandL
i
neModuleManager
commit
|
commitdiff
|
tree
2014-08-20
Teemu
Murtola
Misc
.
gmxp
r
e
.
h-r
e
late
d
changes
commit
|
commitdiff
|
tree
2014-08-20
Teemu Murtola
Merge
release-5-0 into master
commit
|
commitdiff
|
tree
2014-08-20
Teemu
Mu
r
tola
Rem
o
ve unused config
.
h defines
commit
|
commitdiff
|
tree
2014-08-19
Te
e
m
u Murtola
I
ntroduce
gmx
p
re
.
h fo
r
tr
u
ly global def
i
n
itions
commit
|
commitdiff
|
tree
2014-08-14
Teemu Murtola
Fi
x
CMake package confi
g
afte
r
recent ver
s
ion changes
commit
|
commitdiff
|
tree
2014-08-10
Tee
m
u
M
u
rtola
Im
p
r
o
v
e
init
A
fterFirst
F
r
a
me() usability
commit
|
commitdiff
|
tree
2014-08-10
T
e
em
u
Murtola
Make vec
.
h con
s
t-correct wit
h
b
o
t
h
C
and C++
commit
|
commitdiff
|
tree
2014-08-10
Teemu Murtola
Basic exclusion supp
o
rt for analys
i
s
n
bsearch
commit
|
commitdiff
|
tree
2014-08-10
Roland Schu
l
z
M
er
g
e release-4-6 into re
l
ease-5-0
commit
|
commitdiff
|
tree
2014-08-09
T
eemu
M
urtola
Add Se
l
ect
i
o
n
:
:hasOn
l
yAtoms
(
)
commit
|
commitdiff
|
tree
2014-08-07
Te
e
mu
Murtol
a
Basic suppo
r
t for 2D neighborhood
search for analysis
commit
|
commitdiff
|
tree
2014-08-04
Te
e
mu Murtola
V
e
rify MD5 sum for
FFTW do
w
nlo
a
d
commit
|
commitdiff
|
tree
2014-08-03
Te
e
mu Murto
l
a
Check frame atom co
u
nt b
e
fore evaluat
i
ng se
l
ections
commit
|
commitdiff
|
tree
2014-07-24
T
e
e
mu Murt
o
l
a
Do not actually instal
l
u
n
iqu
e
ptr
.
h
commit
|
commitdiff
|
tree
2014-07-10
Te
e
mu
M
urtola
Bum
p
S
O
VERS
I
O
N
commit
|
commitdiff
|
tree
2014-07-09
Teemu
M
urtola
C
l
ean up g
m
x_header_config
commit
|
commitdiff
|
tree
2014-07-09
Teemu
M
u
rto
l
a
Merge
release-
5
-
0
into master
commit
|
commitdiff
|
tree
2014-07-09
Teemu Murtol
a
Improve modul
e
d
e
pe
n
dency gr
a
ph layo
u
t
commit
|
commitdiff
|
tree
2014-07-08
T
e
e
mu M
u
rto
l
a
Move G
M
X_CXX11 to config
.
h
commit
|
commitdiff
|
tree
2014-07-08
T
eemu M
u
rto
l
a
R
em
o
v
e gmx_
u
nique_ptr from options public hea
d
e
rs
commit
|
commitdiff
|
tree
2014-07-08
Teemu Murt
o
l
a
R
emo
v
e
s
el
e
ctio
n
help fro
m
SelectionCollection
commit
|
commitdiff
|
tree
2014-07-08
T
e
emu Murtola
Ma
k
e doc-
c
hec
k
pass again without warnings
commit
|
commitdiff
|
tree
2014-07-05
Teemu Mur
t
ola
Merge re
l
ease-5-0 into mas
t
er
commit
|
commitdiff
|
tree
2014-06-30
Teemu M
u
rtola
Me
r
ge rel
e
a
s
e-5
-
0 into
m
aster
commit
|
commitdiff
|
tree
2014-06-28
Teemu M
u
r
t
ola
R
e
move ov
e
rea
g
er sel
e
ct
i
on i
n
dex group check
commit
|
commitdiff
|
tree
2014-06-21
Teemu Murtola
Convert c
h
eckpoi
n
t
.
c to C++ compilation
commit
|
commitdiff
|
tree
2014-06-07
T
e
emu
M
urto
l
a
Clea
n
up FileNam
e
O
pt
i
onS
t
orage imple
m
entation
commit
|
commitdiff
|
tree
2014-06-07
Te
e
mu Mur
t
o
l
a
Move index
.
* t
o
to
p
o
l
ogy/
commit
|
commitdiff
|
tree
2014-06-03
Mar
k
Abraham
C
o
nvert repl_ex
.
c to C
+
+
commit
|
commitdiff
|
tree
2014-06-02
Teemu Murtola
Move atomprop
.
* to topo
l
ogy/
commit
|
commitdiff
|
tree
2014-05-31
Teem
u
Mu
r
tola
Mo
v
e mtop_uti
l
.
* and topsort
.
*
t
o top
o
logy/
commit
|
commitdiff
|
tree
2014-05-29
Te
e
mu Murt
o
la
Remove more
u
ses of typedef
s
.
h
commit
|
commitdiff
|
tree
2014-05-25
Teemu Murt
o
l
a
Move ge
n
eral
f
u
nctions o
u
t of
t
ypedef
s
.
h
commit
|
commitdiff
|
tree
2014-05-25
T
eem
u
M
urtol
a
Remove some typedefs
.
h de
p
endencies
commit
|
commitdiff
|
tree
2014-05-25
Teemu
M
urtola
Mo
v
e
typ
e
s/topology
.
h
to
t
opol
o
gy/
commit
|
commitdiff
|
tree
2014-05-24
Teemu Murto
l
a
Mov
e
types/idef
.
h to topology/
commit
|
commitdiff
|
tree
2014-05-21
T
e
emu Mur
t
ola
Mo
v
e
mshift
.
* to pbc
u
ti
l
/
commit
|
commitdiff
|
tree
2014-05-21
Teemu Murtola
Merge t_graph defi
n
i
t
ion into mshift
.
h
commit
|
commitdiff
|
tree
next