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
Move ns.h and nsgrid.h to mdlib/
2014-08-10
Rol
a
nd Schulz
Merge rel
e
ase-4-6 into
re
l
ease-5-0
commit
|
commitdiff
|
tree
2014-08-09
T
eemu Murtola
A
d
d Sele
c
tion::h
a
sOnlyAtom
s
()
commit
|
commitdiff
|
tree
2014-08-07
T
eemu
Murto
l
a
Basic suppor
t
for 2D
neig
h
borhood search for ana
l
ysis
commit
|
commitdiff
|
tree
2014-08-04
Teemu Murtola
Verify M
D
5
s
um for FF
T
W download
commit
|
commitdiff
|
tree
2014-08-03
Te
e
m
u
Murtola
C
h
e
ck frame atom count before evaluati
n
g se
l
ections
commit
|
commitdiff
|
tree
2014-07-24
T
eemu Murtola
Do not actu
a
ll
y
i
n
stal
l
uniqueptr
.
h
commit
|
commitdiff
|
tree
2014-07-10
Teem
u
M
urt
o
la
Bump SOVE
R
SION
commit
|
commitdiff
|
tree
2014-07-09
T
eemu Mu
r
t
o
la
Cl
e
an up gmx_h
e
ader_confi
g
commit
|
commitdiff
|
tree
2014-07-09
Teemu Murt
o
la
Merge re
l
ease-5-0 into master
commit
|
commitdiff
|
tree
2014-07-09
Teemu Murt
o
la
Improve module de
p
end
e
ncy gra
p
h l
a
yout
commit
|
commitdiff
|
tree
2014-07-08
T
eemu Mu
r
t
ola
Move
GMX
_
CXX1
1
to
co
n
fig
.
h
commit
|
commitdiff
|
tree
2014-07-08
Teemu Murtola
Rem
o
ve gmx_
u
nique_ptr
from options publ
i
c headers
commit
|
commitdiff
|
tree
2014-07-08
T
e
emu Murtola
Remo
v
e sele
c
tion
h
elp from Se
l
e
ct
i
onCollection
commit
|
commitdiff
|
tree
2014-07-08
Teemu Murtola
Ma
k
e doc-chec
k
pass aga
i
n withou
t
warn
i
ngs
commit
|
commitdiff
|
tree
2014-07-05
Teem
u
Mur
t
ola
Merge
release-5
-
0
into master
commit
|
commitdiff
|
tree
2014-06-30
Te
e
m
u Murto
l
a
Merge rele
a
se-5-0 into ma
s
ter
commit
|
commitdiff
|
tree
2014-06-28
Tee
m
u Mur
t
ola
Remove overe
a
g
e
r
selection index group check
commit
|
commitdiff
|
tree
2014-06-21
Teemu
Mu
r
tola
Convert
checkpoi
n
t
.
c
to C++ compilation
commit
|
commitdiff
|
tree
2014-06-07
Teemu Mu
r
tola
Clean up
F
i
leNameOptio
n
Storage implementation
commit
|
commitdiff
|
tree
2014-06-07
Tee
m
u
M
u
rt
o
la
Move
index
.
* to
t
op
o
logy/
commit
|
commitdiff
|
tree
2014-06-03
Mark Abraham
C
o
n
vert repl_
e
x
.
c to C++
commit
|
commitdiff
|
tree
2014-06-02
T
e
emu Mu
r
tola
Mo
v
e atomprop
.
*
to top
o
logy/
commit
|
commitdiff
|
tree
2014-05-31
Teemu Murtola
Move mtop_util
.
* an
d
t
o
p
sort
.
*
t
o
t
o
pol
o
g
y
/
commit
|
commitdiff
|
tree
2014-05-29
Teemu Murtola
Remove more uses of typedefs
.
h
commit
|
commitdiff
|
tree
2014-05-25
Teemu
Murtola
M
ove ge
n
eral functions out of typedefs
.
h
commit
|
commitdiff
|
tree
2014-05-25
Teemu M
u
rtola
Remove some typedefs
.
h
dependenc
i
es
commit
|
commitdiff
|
tree
2014-05-25
Tee
m
u Murt
o
la
M
ove types/topology
.
h
to topolog
y
/
commit
|
commitdiff
|
tree
2014-05-24
Tee
m
u Murtola
Move types/idef
.
h to topology/
commit
|
commitdiff
|
tree
2014-05-21
Teemu Murtola
Move mshift
.
* to
pbcut
i
l/
commit
|
commitdiff
|
tree
2014-05-21
Teem
u
Murtola
M
erge t_graph def
i
nition
i
n
t
o mshift
.
h
commit
|
commitdiff
|
tree
2014-05-18
Teemu Murtola
Clean up matio
.
*
commit
|
commitdiff
|
tree
2014-05-17
Teemu Murtola
More
e
labor
a
te
d
e
f
ault h
a
ndling fo
r
Fi
l
eN
a
meOptio
n
commit
|
commitdiff
|
tree
2014-05-01
T
e
emu
Murtola
Fix incorrect
l
imits in FloatO
p
tion
S
torage
commit
|
commitdiff
|
tree
2014-04-27
Te
e
mu Mu
r
tola
Move 'real' def
i
nition to
u
tility/real
.
h
commit
|
commitdiff
|
tree
2014-04-16
Teemu Murt
o
la
R
emove unused minvert
.
h
commit
|
commitdiff
|
tree
2014-04-13
Teemu Mur
t
ol
a
Remo
v
e u
n
u
s
ed shi
f
t
.
h
commit
|
commitdiff
|
tree
2014-04-08
Teemu Murtola
Ve
r
sion bum
p
for post-
5
.
0 developm
e
nt
commit
|
commitdiff
|
tree
2014-04-04
T
eemu Murtola
Remov
e
ancient SGI-sp
e
cifi
c
code
commit
|
commitdiff
|
tree
2014-04-04
Teemu Murtola
Cle
a
n
up gmx_fatal
.
*
commit
|
commitdiff
|
tree
2014-03-30
Teemu Murto
l
a
Clean
up string2
.
h-relat
e
d i
n
clud
e
s
commit
|
commitdiff
|
tree
2014-03-27
Teemu Murtola
Move i
n
clude d
e
pendency checks to d
o
c-
c
heck
commit
|
commitdiff
|
tree
2014-03-27
Teemu Murt
o
la
Better automated
Doxygen documentation che
c
k
er
commit
|
commitdiff
|
tree
2014-03-27
Teemu
M
urt
o
la
Misc
.
D
o
xygen fixes
commit
|
commitdiff
|
tree
2014-03-27
Teemu
Murtola
M
o
v
e thread
_
mpi to src/exte
r
n
al/
commit
|
commitdiff
|
tree
2014-03-24
Tee
m
u Murtola
Rem
o
ve
g
m
x
prepro
c
ess from include pa
t
h
commit
|
commitdiff
|
tree
2014-03-08
T
e
e
m
u Murtola
Remove some unnecessary
declarat
i
ons
commit
|
commitdiff
|
tree
2014-02-28
Teemu
M
ur
t
ol
a
Resi
d
u
a
l SIM
D
Doxygen
i
mprovem
e
nts
commit
|
commitdiff
|
tree
2014-02-28
Teemu Murt
o
la
Misc
.
Doxygen
configurat
i
on changes
commit
|
commitdiff
|
tree
2014-02-26
Teemu Mu
r
tola
Fix GM
X
_PRIu32
a
n
d
GMX_PRIu64
f
o
r
MS
V
C
commit
|
commitdiff
|
tree
2014-02-25
Mark
A
braham
K
e
ep compilers happy on BG/Q
commit
|
commitdiff
|
tree
2014-02-15
Te
e
mu Murtola
Fix s
o
m
e
broken link
s
in
H
TML
pages
commit
|
commitdiff
|
tree
2014-02-09
Teemu
M
urtola
Shell completions throu
g
h Options
commit
|
commitdiff
|
tree
2014-02-03
Mark Abraha
m
Add
h
ack to fix genbox
commit
|
commitdiff
|
tree
2014-02-02
Teemu Murtola
E
xtend valgri
n
d su
p
p
r
e
ssions
for
OpenMPI
commit
|
commitdiff
|
tree
2014-01-30
Teemu Murto
l
a
Overview docs for usin
g
Gromacs
a
s a library
commit
|
commitdiff
|
tree
2014-01-30
Teemu Mur
t
ola
R
e
name P
r
ogramI
n
fo to CommandLineProgramCont
e
xt
commit
|
commitdiff
|
tree
2014-01-29
Te
e
mu Murtola
Print common options to 'gmx -h'
commit
|
commitdiff
|
tree
2014-01-22
Teemu Murtola
U
se loca
l
ProgramInfo in Com
m
a
n
dLineModule
M
anage
r
commit
|
commitdiff
|
tree
2014-01-21
T
eemu Murtola
Remove u
n
used split
.
h
commit
|
commitdiff
|
tree
2014-01-20
Teemu Murtol
a
F
i
x
test referen
c
e data
commit
|
commitdiff
|
tree
2014-01-05
Teemu Murt
o
la
Sup
p
o
r
t for defau
l
t values for Selecti
o
nOp
t
ion
commit
|
commitdiff
|
tree
2013-12-30
Teemu Murtola
More robust shell det
e
ction in
G
MXRC
commit
|
commitdiff
|
tree
2013-12-29
Teemu Murtola
Minor vec
.
h cleanup
commit
|
commitdiff
|
tree
2013-12-24
Teemu Murto
l
a
Get ri
d
of set_de
f
ault_file_n
a
me()
commit
|
commitdiff
|
tree
2013-12-24
Roland Sch
u
lz
Rename r
e
maining large
_
i
nt to
i
nt64
commit
|
commitdiff
|
tree
2013-12-23
Roland Schulz
R
e
place gmx_l
a
rg
e
_i
n
t_t with
gm
x
_int64_t
commit
|
commitdiff
|
tree
2013-12-16
E
rik
Lindahl
M
o
ved OpenMP detection to s
e
parate file
.
commit
|
commitdiff
|
tree
2013-12-08
Teemu M
u
r
tola
Don't create syml
i
n
ks in t
h
e
build tree
commit
|
commitdiff
|
tree
2013-12-04
Teemu M
u
r
t
ola
F
i
x t
e
st build with
G
MX_BUILD_MDRUN_ONLY
commit
|
commitdiff
|
tree
2013-11-29
Berk Hess
Create
d
SIM
D
module
commit
|
commitdiff
|
tree
2013-11-20
Teemu
M
urt
o
la
Update copyright
he
a
de
r
s
i
n kernels
.
commit
|
commitdiff
|
tree
2013-11-20
Teemu Murtola
Update copyright header
s
in genera
t
ed k
e
r
n
els
.
commit
|
commitdiff
|
tree
2013-11-20
Teemu Murtola
S
cript to
automatically update copyright
commit
|
commitdiff
|
tree
2013-11-17
Teemu Murtola
Reformat
existi
n
g LGPL copyright noti
c
es
.
commit
|
commitdiff
|
tree
2013-10-30
Alexe
y
Sh
v
etsov
gromacs cpp: clean up -Wu
n
used-pa
r
amet
e
r
war
n
ings
commit
|
commitdiff
|
tree
2013-10-18
T
e
emu
Murtola
Upgrade layout fi
l
e to support Doxyg
e
n >=1
.
8
.
commit
|
commitdiff
|
tree
2013-10-07
Teemu Murtol
a
Improve mar
k
up
substitution in HelpWrite
r
C
ontext
.
commit
|
commitdiff
|
tree
2013-09-28
T
e
emu M
u
rto
l
a
Use
g
it ver
s
ion in
f
o in Doxyge
n
.
commit
|
commitdiff
|
tree
2013-09-24
Teemu Murto
l
a
Remo
v
e old g
e
nerated HTML
f
iles
.
commit
|
commitdiff
|
tree
2013-09-24
Teemu
M
urtola
Remove sr
c
/contrib/prfn
.
c and related code
.
commit
|
commitdiff
|
tree
2013-09-23
Teem
u
M
u
rto
l
a
Remove obsolet
e
to
o
ls
.
commit
|
commitdiff
|
tree
2013-09-20
Teemu
M
u
rt
o
l
a
M
e
rge branch
'
release-4-6'
commit
|
commitdiff
|
tree
2013-09-06
Te
e
mu Murtola
Suppo
r
t for parallel
data mo
d
u
les
.
commit
|
commitdiff
|
tree
2013-08-24
T
e
emu Murtola
[RFC] Really uniform
s
ta
r
tup path for all binar
i
es
.
commit
|
commitdiff
|
tree
2013-07-22
T
e
emu
M
urtola
Fi
x
Doxygen warnin
g
s
.
commit
|
commitdiff
|
tree
2013-07-21
Teemu Mur
t
ola
M
o
re fi
l
es
t
o
C++
.
commit
|
commitdiff
|
tree
2013-06-28
Teemu Murtola
F
ix overeager VdW radii change note
.
commit
|
commitdiff
|
tree
2013-06-27
T
eemu Murtola
P
roper C++ API for anal
y
sis ne
i
ghborho
o
d
search
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu Mu
r
tola
Fix some issues found by cpp
c
heck-
1
.
58
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu Mu
r
t
ola
M
ore bi
n
aries
i
nto the wrapper binary
.
commit
|
commitdiff
|
tree
2013-05-24
T
e
emu Murtola
Merge bra
n
ch 'release
-
4-6'
commit
|
commitdiff
|
tree
2013-04-19
T
eemu
M
u
rto
l
a
M
erg
e
bran
c
h
'
r
ele
a
se-4-5-pat
c
hes'
commit
|
commitdiff
|
tree
2013-04-10
T
e
emu Murtola
Fi
x
ano
t
her bug in
s
elec
t
ion subexpr
e
ss
i
on
handling
.
commit
|
commitdiff
|
tree
2013-04-10
Teemu Murtola
Fix bug in selec
t
i
on subex
p
ression handlin
g
.
commit
|
commitdiff
|
tree
2013-04-10
Tee
m
u Murtola
Fix another bug in se
l
ection subexpres
s
ion handling
.
commit
|
commitdiff
|
tree
2013-04-07
Te
e
mu Murtola
Fix b
u
g in selection
subexpression handling
.
commit
|
commitdiff
|
tree
2013-03-26
T
e
emu Murtola
I
mpr
o
v
e
mast
e
r-speci
f
ic
CMake behavior
.
commit
|
commitdiff
|
tree
2013-03-26
Tee
m
u Murt
o
l
a
Ad
d
histogram output for
'g
m
x gangle'
.
commit
|
commitdiff
|
tree
2013-03-24
Teem
u
M
urtola
Mer
g
e l
i
b
g
mxana into libgromacs
.
commit
|
commitdiff
|
tree
2013-03-08
Teemu
M
urtola
B
etter test a
s
serti
o
n
s
for excepti
o
ns
.
commit
|
commitdiff
|
tree
next