repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Remove gmx::File (except for File::exists())
2015-07-04
Teemu Murtol
a
Remove gmx:
:
F
ile (except for File::exists
(
))
commit
|
commitdiff
|
tree
2015-07-04
T
e
emu
Murtola
Replace direct use
s
of gmx::File with st
r
e
am
s
commit
|
commitdiff
|
tree
2015-07-02
Teemu Mu
r
to
l
a
C
o
nvert gmxfio to C++
commit
|
commitdiff
|
tree
2015-07-02
Teemu Murtola
C
l
ean up gmxfio
i
ncludes
commit
|
commitdiff
|
tree
2015-07-02
Teemu Murtola
R
eorder co
d
e wit
h
in gmxfio
commit
|
commitdiff
|
tree
2015-07-02
Tee
m
u Murtola
Further
g
mxfio cleanup rel
a
ted t
o
xdr h
a
ndling
commit
|
commitdiff
|
tree
2015-06-16
Teemu Murtola
Fix brok
e
n
l
inks
from the old flow chart
commit
|
commitdiff
|
tree
2015-06-12
T
e
e
m
u Murtola
I
m
prove
uncrustify Jenkin
s
bui
l
d
s
commit
|
commitdiff
|
tree
2015-06-09
Teem
u
M
u
r
tola
Add descrip
t
i
o
n of relocatab
l
e binaries
commit
|
commitdiff
|
tree
2015-06-04
Teemu
M
ur
t
o
la
Re
f
actor rst parsing for console outpu
t
commit
|
commitdiff
|
tree
2015-06-04
T
e
emu Murtola
Re
p
l
ace gromacs
.
7 ma
n
page with
gm
x
.
1
commit
|
commitdiff
|
tree
2015-06-04
T
e
emu Murtola
Docu
m
e
nt
curren
t
help format
t
ing
commit
|
commitdiff
|
tree
2015-06-04
T
eemu Murtol
a
Basic sup
p
o
rt f
o
r
t
itles wi
t
h
i
n too
l
h
el
p
commit
|
commitdiff
|
tree
2015-05-27
M
ark Abr
a
ham
Fix warnings fro
m
G
C
C
5
commit
|
commitdiff
|
tree
2015-05-25
T
e
emu
M
ur
t
ola
O
v
erview
docs for analysis n
b
se
a
rch
commit
|
commitdiff
|
tree
2015-05-22
Teemu Murtol
a
Allow
any ord
e
r for se
c
tions
i
n 'gmx help -ex
p
ort'
commit
|
commitdiff
|
tree
2015-05-22
Teemu Murtola
Mer
g
e relea
s
e-5-0 into m
a
s
ter
commit
|
commitdiff
|
tree
2015-05-20
T
e
emu Murto
l
a
F
i
x
h
a
n
dl
i
ng of
real
-
v
a
lued 'to'
s
e
lection ranges
commit
|
commitdiff
|
tree
2015-05-11
Teemu M
u
rtola
Use single variable for expec
t
e
d Doxyge
n
v
e
rsion
commit
|
commitdiff
|
tree
2015-05-10
Teemu Murtola
Move some
t
e
stutils a
n
d overview docs
to dev gui
d
e
commit
|
commitdiff
|
tree
2015-04-24
M
ark Abraham
Add developer docs for ne
w
docume
n
tation infrastruct
u
re
commit
|
commitdiff
|
tree
2015-04-24
Teemu Murtola
Add se
c
tion o
n
naming conv
e
ntions to dev manua
l
commit
|
commitdiff
|
tree
2015-02-13
Teemu Mur
t
o
l
a
Replac
e
some [BR] in
help text
s
with
rs
t
lite
r
a
l
s
commit
|
commitdiff
|
tree
2015-01-24
Teemu Murtola
Remove
old selection parser error han
d
ling code
commit
|
commitdiff
|
tree
2015-01-07
Teemu Murtola
Custom program c
o
ntext
f
or
u
nit tests
commit
|
commitdiff
|
tree
2015-01-06
Teemu Murtola
Use xvgr
c
lose() for files opened wit
h
xvgropen()
commit
|
commitdiff
|
tree
2015-01-02
T
e
emu
M
u
r
t
o
l
a
Update copyright year in
c
opyrite
.
cpp
commit
|
commitdiff
|
tree
2014-12-28
Tee
m
u Murtol
a
C
onvert gmx-
i
n
sert-molecules i
n
to pr
o
per C++ module
commit
|
commitdiff
|
tree
2014-12-18
T
eemu
Murtol
a
Rework gmx-solvat
e
to use ana
l
ysis
n
bsearch
commit
|
commitdiff
|
tree
2014-12-14
T
e
emu Murtola
C+
+
i
n
terfac
e
for
s
urface a
r
ea calcu
l
ation
commit
|
commitdiff
|
tree
2014-11-27
T
eemu Murtola
Clean up
gmx solvate
commit
|
commitdiff
|
tree
2014-11-27
Tee
m
u Murtola
More contr
o
l over file backups
commit
|
commitdiff
|
tree
2014-11-26
Teemu
M
urtola
Co
n
vert surfa
c
e area calc
u
lation to C++
commit
|
commitdiff
|
tree
2014-11-21
Teem
u
Murtola
Describe doc-check in deve
l
ope
r
manual
commit
|
commitdiff
|
tree
2014-10-30
T
e
em
u
Murtola
Add
more
s
election unit tests
commit
|
commitdiff
|
tree
2014-10-30
Teem
u
Murtol
a
Fix more memory leaks in d
e
fault
g
roup cre
a
t
ion
commit
|
commitdiff
|
tree
2014-10-29
Teemu Murtola
Merge
rele
a
se-5-0 into
maste
r
commit
|
commitdiff
|
tree
2014-10-28
T
eemu
M
urto
l
a
Avoid
common
.
h i
n
clusion in CUDA code
commit
|
commitdiff
|
tree
2014-10-23
Teemu
Murtola
Move trunc
a
te() wrapper to fut
i
l
.
h
commit
|
commitdiff
|
tree
2014-10-23
Teemu Murto
l
a
E
n
capsu
l
ate use of nice(
)
commit
|
commitdiff
|
tree
2014-10-22
T
eemu M
u
rto
l
a
C
ol
l
ect more platform-specific code t
o
sysinf
o
.
h
commit
|
commitdiff
|
tree
2014-10-22
Teemu Murtola
Rename common
.
h
t
o clas
s
he
l
pe
r
s
.
h
commit
|
commitdiff
|
tree
2014-10-14
Teemu Murtola
Check confi
g
.
h usage
i
n
doc-check
commit
|
commitdiff
|
tree
2014-09-21
T
e
emu Murtola
Introduce a va
r
iable to identify in-sour
c
e
b
ui
l
d
commit
|
commitdiff
|
tree
2014-09-21
Teemu
M
urtola
Skip
man/h
t
ml/compl
e
tion ge
n
e
r
a
t
ion
i
f not
needed
commit
|
commitdiff
|
tree
2014-09-13
Teemu Murtola
Exten
d
support
for floa
t
/
double toleran
c
es in test
i
ng
commit
|
commitdiff
|
tree
2014-09-12
Teemu Mu
r
tola
Run i
n
c
l
ude order
c
h
e
c
k
in d
o
c-check
commit
|
commitdiff
|
tree
2014-09-05
T
ee
m
u Murt
o
la
Remove unne
c
ess
a
ry conf
i
g
.
h
includes
commit
|
commitdiff
|
tree
2014-09-05
T
eem
u
Murtola
Move some defin
e
s to gmxpre
.
h
for thread-MPI
commit
|
commitdiff
|
tree
2014-09-04
Teemu Murto
l
a
Incl
u
de con
f
i
g
.
h
directly if used
commit
|
commitdiff
|
tree
2014-08-23
Mark Abraham
Ge
n
e
r
ali
z
e markdown configu
r
ation mac
h
inery
commit
|
commitdiff
|
tree
2014-08-22
Teemu Murtola
Move -nice
h
andling to
C
omman
d
Line
M
oduleManager
commit
|
commitdiff
|
tree
2014-08-20
Tee
m
u Murtola
Misc
.
gm
x
pre
.
h-relat
e
d ch
a
nges
commit
|
commitdiff
|
tree
2014-08-20
Teemu Murtola
Me
r
ge release-5-0
i
nto master
commit
|
commitdiff
|
tree
2014-08-20
Teemu Mu
r
t
o
la
Remove unused co
n
fig
.
h defines
commit
|
commitdiff
|
tree
2014-08-19
Teemu Murtola
I
n
t
rodu
c
e gmxpre
.
h
for tru
l
y globa
l
definition
s
commit
|
commitdiff
|
tree
2014-08-14
Teemu Murtola
Fix
CMake packag
e
config after recent version changes
commit
|
commitdiff
|
tree
2014-08-10
Teemu
M
u
rto
l
a
I
m
prove initA
f
terFi
r
s
t
F
rame() usabil
i
ty
commit
|
commitdiff
|
tree
2014-08-10
Te
e
mu Murtola
Make vec
.
h cons
t
-correct wi
t
h both C and C++
commit
|
commitdiff
|
tree
2014-08-10
Teemu
M
urtola
Basi
c
e
xcl
u
sion support for a
n
alysis nbsearch
commit
|
commitdiff
|
tree
2014-08-10
R
o
land Schul
z
Merge release-4-6 into rel
e
ase-5-0
commit
|
commitdiff
|
tree
2014-08-09
Teemu Murtola
Add Selection::hasOnlyAtoms()
commit
|
commitdiff
|
tree
2014-08-07
T
e
emu Murtola
Basic
s
u
pport for 2D
neighbor
h
ood s
e
arch f
o
r analysis
commit
|
commitdiff
|
tree
2014-08-04
Teemu
M
urto
l
a
Verify MD5
sum for FFTW download
commit
|
commitdiff
|
tree
2014-08-03
Teemu Murtola
C
h
eck frame atom co
u
nt
befor
e
eva
l
uati
n
g selections
commit
|
commitdiff
|
tree
2014-07-24
Tee
m
u Murtola
D
o
not ac
t
ua
l
ly
i
nstall
u
niq
u
eptr
.
h
commit
|
commitdiff
|
tree
2014-07-10
Teemu Murtola
B
ump SOVERSI
O
N
commit
|
commitdiff
|
tree
2014-07-09
Teem
u
Murtol
a
Clean up gmx
_
header_c
o
nfig
commit
|
commitdiff
|
tree
2014-07-09
Teemu M
u
rtola
Merge
r
e
l
ease
-
5-0
i
n
to m
a
s
ter
commit
|
commitdiff
|
tree
2014-07-09
T
eemu M
u
rtola
Improve module dependency graph layout
commit
|
commitdiff
|
tree
2014-07-08
Te
e
mu Murtola
Move GMX_CXX
1
1 to config
.
h
commit
|
commitdiff
|
tree
2014-07-08
Teemu
Murtola
Remo
v
e gmx_un
i
que
_
p
tr from options
p
u
b
lic headers
commit
|
commitdiff
|
tree
2014-07-08
T
e
emu M
u
r
t
ola
Remove sel
e
ction
h
elp from SelectionColl
e
ction
commit
|
commitdiff
|
tree
2014-07-08
Teemu Murtola
Make doc-chec
k
pass again wi
t
hout
w
a
rnin
g
s
commit
|
commitdiff
|
tree
2014-07-05
T
eemu Murtola
Mer
g
e release-5-0 into master
commit
|
commitdiff
|
tree
2014-06-30
Teemu Murtola
Merge release-5-0
i
n
to master
commit
|
commitdiff
|
tree
2014-06-28
Te
e
mu Mu
r
tola
Remove
o
v
ere
a
ger select
i
on inde
x
group check
commit
|
commitdiff
|
tree
2014-06-21
T
eemu Murt
o
la
Co
n
v
e
rt
checkpoint
.
c to
C++ compilat
i
on
commit
|
commitdiff
|
tree
2014-06-07
T
e
emu
Murtola
C
l
e
an up FileNameOpt
i
o
n
S
torage im
p
lementa
t
ion
commit
|
commitdiff
|
tree
2014-06-07
Teemu
M
u
rtola
Move i
n
de
x
.
*
to t
o
pol
o
gy/
commit
|
commitdiff
|
tree
2014-06-03
Mark Abraham
Co
n
vert repl
_
ex
.
c to C+
+
commit
|
commitdiff
|
tree
2014-06-02
Teemu Murtola
Move atompr
o
p
.
* t
o
t
opolo
g
y/
commit
|
commitdiff
|
tree
2014-05-31
T
eemu Mur
t
ola
Move m
t
op_util
.
* an
d
topsort
.
* to topology/
commit
|
commitdiff
|
tree
2014-05-29
Teem
u
Murtola
Rem
o
v
e
m
o
re uses of typedefs
.
h
commit
|
commitdiff
|
tree
2014-05-25
T
ee
m
u Murtola
Move ge
n
e
r
a
l
functions out
o
f typedefs
.
h
commit
|
commitdiff
|
tree
2014-05-25
Te
e
mu Murtol
a
Remove some typedefs
.
h depen
d
enci
e
s
commit
|
commitdiff
|
tree
2014-05-25
Tee
m
u Murtola
Move types/topology
.
h
to t
o
po
l
ogy/
commit
|
commitdiff
|
tree
2014-05-24
Te
e
mu Murtola
Move types/idef
.
h to to
p
ology
/
commit
|
commitdiff
|
tree
2014-05-21
Teemu Murt
o
l
a
Move mshift
.
* to pbcu
t
il/
commit
|
commitdiff
|
tree
2014-05-21
Teemu Mur
t
ola
M
e
r
ge t
_
graph
d
efini
t
ion int
o
mshift
.
h
commit
|
commitdiff
|
tree
2014-05-18
Teemu Murto
l
a
Clean
up ma
t
io
.
*
commit
|
commitdiff
|
tree
2014-05-17
Teem
u
Murtola
More
el
a
borate
d
efaul
t
handling for F
i
leNameOption
commit
|
commitdiff
|
tree
2014-05-01
Tee
m
u M
u
rto
l
a
Fix in
c
orrect li
m
i
t
s
i
n Flo
a
tOp
t
io
n
Storage
commit
|
commitdiff
|
tree
2014-04-27
Te
e
mu Murtola
Move
'
re
a
l' definition
t
o
u
t
i
lity/real
.
h
commit
|
commitdiff
|
tree
2014-04-16
Teemu Mu
r
tola
Rem
o
v
e
unused minve
r
t
.
h
commit
|
commitdiff
|
tree
2014-04-13
T
e
e
m
u Murtola
R
emove
unuse
d
sh
i
ft
.
h
commit
|
commitdiff
|
tree
2014-04-08
T
eemu Murto
l
a
Version bump for post-5
.
0 development
commit
|
commitdiff
|
tree
2014-04-04
Teemu
Murtola
Remo
v
e an
c
ie
n
t SGI-specific code
commit
|
commitdiff
|
tree
2014-04-04
T
eem
u
Murto
l
a
C
l
e
an up gmx_fatal
.
*
commit
|
commitdiff
|
tree
2014-03-30
Teemu
M
urto
l
a
C
le
a
n up string2
.
h-related i
n
clude
s
commit
|
commitdiff
|
tree
next