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Fix more memory leaks in default group creation
2014-10-30
Tee
m
u
Mu
r
tola
Fix more memory le
a
ks in default grou
p
creation
commit
|
commitdiff
|
tree
2014-10-30
Teemu Murtola
Fix m
e
m
o
ry leak in defau
l
t ind
e
x
g
roup creation
commit
|
commitdiff
|
tree
2014-10-29
Teemu Murtola
Merge release-5
-
0
into master
commit
|
commitdiff
|
tree
2014-10-29
Teemu Murt
o
la
Imp
r
ove analysis n
b
search grid mapp
i
n
g
commit
|
commitdiff
|
tree
2014-10-28
T
e
emu Murtola
Av
o
id common
.
h inclusion in CUDA co
d
e
commit
|
commitdiff
|
tree
2014-10-23
Te
e
m
u
Murtol
a
Move t
r
uncate() wrap
p
er
t
o futil
.
h
commit
|
commitdiff
|
tree
2014-10-23
Teemu Murtola
Encapsulate use of nice()
commit
|
commitdiff
|
tree
2014-10-22
Teemu Mu
r
tola
Collect more platform-specific code to
s
ysinfo
.
h
commit
|
commitdiff
|
tree
2014-10-22
Tee
m
u Murtola
R
ename comm
o
n
.
h to
c
l
a
s
s
helpers
.
h
commit
|
commitdiff
|
tree
2014-10-22
Teemu M
u
rtola
Move basic macros from common
.
h
to basedefinitions
.
h
commit
|
commitdiff
|
tree
2014-10-14
T
e
e
m
u Murtola
C
h
e
c
k co
n
fi
g
.
h
usage in doc-che
c
k
commit
|
commitdiff
|
tree
2014-10-14
T
e
emu Mur
t
o
l
a
Use analysis nbsearch in insert-molecules
commit
|
commitdiff
|
tree
2014-10-11
Tee
m
u Murtola
Clean up gmx ins
e
rt-
m
olecules
commit
|
commitdiff
|
tree
2014-10-11
Teemu
Murtola
Make 'gmx inser
t
-molecul
e
s'
tes
t
s
test output
commit
|
commitdiff
|
tree
2014-10-11
Tee
m
u
M
u
rtola
Generalize command-lin
e
unit testing machine
r
y
commit
|
commitdiff
|
tree
2014-10-03
Teem
u
M
u
rt
o
la
Mo
r
e robust handling
f
or installe
d
head
e
rs
commit
|
commitdiff
|
tree
2014-09-23
Te
e
m
u Mu
r
t
o
la
Reorganize CPack managemen
t
commit
|
commitdiff
|
tree
2014-09-23
Teemu M
u
rtola
Genera
t
e
man pages and completions by
d
efault if pos
s
ible
commit
|
commitdiff
|
tree
2014-09-22
Teemu Murt
o
la
Merge "Merge rele
a
se-5-0 into mas
t
e
r"
commit
|
commitdiff
|
tree
2014-09-21
T
eemu
M
urtola
In
t
roduce
a
var
i
able to id
e
ntify i
n
-source build
commit
|
commitdiff
|
tree
2014-09-21
T
e
emu Mu
r
tola
S
ki
p
m
a
n/html/completion generation if
n
ot need
e
d
commit
|
commitdiff
|
tree
2014-09-20
Teemu
Murtola
Remove duplication in versi
o
n info ta
r
get creatio
n
commit
|
commitdiff
|
tree
2014-09-20
Tee
m
u Murtola
Fix patt
e
rn
s
for
.
gi
t
a
ttributes
commit
|
commitdiff
|
tree
2014-09-19
Teemu
M
urtola
Proper dependencie
s
f
o
r
D
oxyg
e
n build
r
ules
commit
|
commitdiff
|
tree
2014-09-19
Teemu Murtola
Fix histogram resampl
i
ng output bin positi
o
ns
commit
|
commitdiff
|
tree
2014-09-19
Teemu Murtola
Embed module dependency graph
in
D
o
xygen docs
commit
|
commitdiff
|
tree
2014-09-19
T
eemu Mur
t
ola
Add
sup
p
o
r
t
f
or c
u
mulative histograms
commit
|
commitdiff
|
tree
2014-09-19
Teemu Mu
r
t
ola
More pre
c
ise anal
y
sisdata h
i
stogram accumul
a
tion
commit
|
commitdiff
|
tree
2014-09-19
Teemu Murtola
Misc
.
Doxy
g
en b
u
ild sy
s
t
em
im
p
rovements
commit
|
commitdiff
|
tree
2014-09-13
T
eemu M
u
rt
o
la
E
x
t
end s
u
pport
for float/double
toleranc
e
s in te
s
ting
commit
|
commitdiff
|
tree
2014-09-13
T
eemu Murtol
a
De
c
lare __STDC_*_MACROS in gmxpre
.
h
commit
|
commitdiff
|
tree
2014-09-12
Teemu Murtola
Run
i
nclud
e
or
d
er chec
k
in doc-chec
k
commit
|
commitdiff
|
tree
2014-09-11
Teemu
M
urtola
I
mprove unc
r
ustify
.
sh
r
eturn
code handling
commit
|
commitdiff
|
tree
2014-09-11
Te
e
mu Murtola
Inc
l
ude d
i
rective sorter
commit
|
commitdiff
|
tree
2014-09-11
T
eemu Murtola
Add gmx_getpid()
commit
|
commitdiff
|
tree
2014-09-11
T
eemu
M
u
r
t
ola
Mo
v
e _GN
U
_SOURCE
t
o g
m
xpre
.
h
commit
|
commitdiff
|
tree
2014-09-11
Teemu
Murt
o
la
Sort
i
ncludes outsi
d
e src/gr
o
macs
commit
|
commitdiff
|
tree
2014-09-11
Teemu Murtola
Sort all
includes in src/gromacs
commit
|
commitdiff
|
tree
2014-09-11
Teemu
M
u
r
to
l
a
Use
absol
u
te include pat
h
s i
n
nbnxn
kernels
commit
|
commitdiff
|
tree
2014-09-11
Teemu Murtola
Manually
sort
some includes in src/
g
romacs
commit
|
commitdiff
|
tree
2014-09-08
Teemu Murto
l
a
S
upport cust
o
m de
f
ault ext
e
ns
i
on fo
r
FileName
O
ption
commit
|
commitdiff
|
tree
2014-09-08
Teemu Mur
t
ola
Remove unnecessary
e
xten
s
i
o
ns in t_filenm defaults
commit
|
commitdiff
|
tree
2014-09-07
Teemu Murtola
More con
s
istent d
e
fault handling for
S
tringOption
commit
|
commitdiff
|
tree
2014-09-07
Teemu Murtol
a
Update t
e
mplate/README
commit
|
commitdiff
|
tree
2014-09-05
Teemu Mu
r
tola
R
e
m
o
v
e un
n
e
cessary config
.
h
includ
e
s
commit
|
commitdiff
|
tree
2014-09-05
Teem
u
Mu
r
t
ola
Move some defin
e
s t
o
gmxpre
.
h f
o
r thread-MPI
commit
|
commitdiff
|
tree
2014-09-05
Teemu Murtola
Ano
t
h
er batc
h
of added co
n
fig
.
h
commit
|
commitdiff
|
tree
2014-09-05
Teemu Mu
r
tola
Make doc-che
c
k
f
a
il the
b
u
il
d
o
n
w
arnings
commit
|
commitdiff
|
tree
2014-09-05
T
eem
u
Mu
r
to
l
a
Merge "Merge r
e
l
e
a
se-5-0
i
nto master"
commit
|
commitdiff
|
tree
2014-09-04
Teemu Murtola
Include
config
.
h di
r
ectly
i
f
use
d
commit
|
commitdiff
|
tree
2014-09-04
T
e
emu Murtola
Make doc-check
s
ilent fo
r
in-sou
r
ce bu
i
ld
commit
|
commitdiff
|
tree
2014-09-04
T
eemu Murtola
Merge "Me
r
ge
r
e
le
a
se-5-0 i
n
to master"
commit
|
commitdiff
|
tree
2014-08-24
Teemu Mu
r
to
l
a
Pre
c
a
lcu
l
ate pbc shift for analysis
n
b
s
ea
r
ch
commit
|
commitdiff
|
tree
2014-08-24
Teemu
Mu
r
to
l
a
Impr
o
ve an
a
lys
i
s nbsearch grid mapping
commit
|
commitdiff
|
tree
2014-08-23
Teemu
M
urtola
Backport o
f
'Re
m
o
v
e
u
nused figures from share/html/'
commit
|
commitdiff
|
tree
2014-08-22
Te
e
mu Murtola
Move
-nice handl
i
n
g to C
o
mmandLineMod
u
leMa
n
ager
commit
|
commitdiff
|
tree
2014-08-20
Teemu Murtola
Mis
c
.
gm
x
p
r
e
.
h-related changes
commit
|
commitdiff
|
tree
2014-08-20
Tee
m
u
Murtola
Merg
e
release
-
5
-0 into master
commit
|
commitdiff
|
tree
2014-08-20
Teemu Murtola
Re
m
o
v
e unused c
o
nf
i
g
.
h def
i
nes
commit
|
commitdiff
|
tree
2014-08-19
Tee
m
u Murtola
Introduce gmx
p
re
.
h
f
o
r
truly global definitions
commit
|
commitdiff
|
tree
2014-08-16
Teemu Murtola
Disable analysis
d
at
a
generi
c
tests
if not compilab
l
e
commit
|
commitdiff
|
tree
2014-08-14
Teemu Murto
l
a
Fix CMake
p
a
c
kage config
after recent
v
e
r
sion changes
commit
|
commitdiff
|
tree
2014-08-13
Teemu Murtola
U
se nati
v
e CM
a
ke mechanism
for find_p
a
ckag
e
(
GRO
M
ACS)
commit
|
commitdiff
|
tree
2014-08-13
Teemu Murt
o
l
a
Reorgan
i
ze CMake vers
i
on infor
m
ation
m
anagement
commit
|
commitdiff
|
tree
2014-08-10
T
e
emu Mu
r
tola
Improve
i
n
i
tAfterF
i
r
stFrame()
u
s
a
bility
commit
|
commitdiff
|
tree
2014-08-10
Teemu M
u
rtola
Make vec
.
h const-
c
orrect wi
t
h both C and C++
commit
|
commitdiff
|
tree
2014-08-10
Teemu
M
urt
o
la
Bas
i
c
e
x
c
lusi
o
n
support for ana
l
ysis nbse
a
rch
commit
|
commitdiff
|
tree
2014-08-09
Te
e
mu M
u
r
tola
Add Selection::hasOnl
y
A
toms()
commit
|
commitdiff
|
tree
2014-08-07
Teemu Murtola
B
a
sic suppor
t
for 2D neighborhood search for analysis
commit
|
commitdiff
|
tree
2014-08-04
Teemu Murtola
Verify MD
5
sum
f
o
r FFTW
d
o
wnload
commit
|
commitdiff
|
tree
2014-08-03
T
e
emu
M
u
rtola
C
h
eck frame atom count before
evaluating selections
commit
|
commitdiff
|
tree
2014-07-31
Teemu Mu
r
tol
a
Merge "Merge release-5-0 i
n
to
m
as
t
e
r"
commit
|
commitdiff
|
tree
2014-07-24
Teemu M
u
rtola
Do
n
o
t actually instal
l
uniqueptr
.
h
commit
|
commitdiff
|
tree
2014-07-16
Teemu Murtola
Fix
HTML
h
elp and man pages fo
r
commands with
d
a
s
h
es
commit
|
commitdiff
|
tree
2014-07-12
Tee
m
u Murt
o
la
Ma
k
e gmx_no
d
e_n
u
m/rank safer
commit
|
commitdiff
|
tree
2014-07-11
Teemu Mu
r
tol
a
Fix HTML
l
inks that contain file extensions
commit
|
commitdiff
|
tree
2014-07-10
Teemu Murto
l
a
Bump SOVER
S
ION
commit
|
commitdiff
|
tree
2014-07-09
Teemu Murtola
C
lean up gmx_hea
d
er_c
o
nfig
commit
|
commitdiff
|
tree
2014-07-09
Teemu Murtola
Merge release-
5
-0
i
nto master
commit
|
commitdiff
|
tree
2014-07-09
Te
e
mu Murtola
Improve module de
p
end
e
n
cy graph la
y
out
commit
|
commitdiff
|
tree
2014-07-09
Teemu
M
urtola
Mod
u
le
d
epende
n
c
y cy
c
le
c
hecker fo
r
'
d
o
c-check'
commit
|
commitdiff
|
tree
2014-07-08
Teem
u
Murtola
R
emove
P
CA_
Q
UIET
commit
|
commitdiff
|
tree
2014-07-08
Teemu Murtola
A
d
ditional index group
ch
e
c
k
s for
selecti
o
ns
commit
|
commitdiff
|
tree
2014-07-08
Teemu Murtol
a
Clean up program name handling in oen
v
commit
|
commitdiff
|
tree
2014-07-08
Teemu Murtola
Improve Fi
l
eNameO
p
t
i
on error han
d
ling
commit
|
commitdiff
|
tree
2014-07-08
Teemu
M
urt
o
la
Move GMX_CXX11 to config
.
h
commit
|
commitdiff
|
tree
2014-07-08
Teemu
M
urtola
Rem
o
ve gmx
_
unique_ptr from opt
i
ons publi
c
he
a
ders
commit
|
commitdiff
|
tree
2014-07-08
Teemu Murtola
Make selections ig
n
o
r
e \r
i
n
input
commit
|
commitdiff
|
tree
2014-07-08
T
eem
u
M
ur
t
ola
Remo
v
e s
e
lection help from SelectionC
o
l
lection
commit
|
commitdiff
|
tree
2014-07-08
T
e
emu
Murtola
C
h
a
n
g
e
some
gmx_un
i
q
ue_ptr to shared_ptr in
public
.
.
.
commit
|
commitdiff
|
tree
2014-07-08
T
e
emu
M
urtola
M
ove -debug to cmdlinemodulemanager
.
cpp
commit
|
commitdiff
|
tree
2014-07-08
Te
e
mu Murtola
Make
doc-check pass again without wa
r
n
i
n
gs
commit
|
commitdiff
|
tree
2014-07-05
Teemu
M
urtola
Merg
e
release-5-0 into ma
s
ter
commit
|
commitdiff
|
tree
2014-07-05
T
e
e
mu Murtol
a
Reinstantiate unsorted inde
x
group check
commit
|
commitdiff
|
tree
2014-07-05
Teemu Mur
t
o
la
Update some inst
a
llation-relat
e
d docs
commit
|
commitdiff
|
tree
2014-07-01
Teemu Murtola
Adjust inclu
d
e
d
i
r
ectory order for s
o
m
e corn
e
r cases
commit
|
commitdiff
|
tree
2014-06-30
Teemu Murtola
Merge releas
e
-5-0
i
nto master
commit
|
commitdiff
|
tree
2014-06-29
Teem
u
Murtol
a
R
emove
some hard
c
oded selec
t
ion s
t
ring buff
e
r
s
commit
|
commitdiff
|
tree
2014-06-28
Tee
m
u
Mu
r
tola
Remove overeager selectio
n
index group check
commit
|
commitdiff
|
tree
2014-06-21
Teemu Murtola
Convert checkpoint
.
c to C++ compilation
commit
|
commitdiff
|
tree
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