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Add section on naming conventions to dev manual
2015-04-24
Te
e
m
u Murtola
Add section
on naming convent
i
ons
t
o dev
man
u
al
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Replace some [BR] i
n
he
l
p texts with rst lite
r
als
commit
|
commitdiff
|
tree
2015-01-24
T
e
emu
M
u
rt
o
la
Rem
o
ve old selection parser error handling co
d
e
commit
|
commitdiff
|
tree
2015-01-07
Teemu Murtola
C
u
s
t
o
m
progr
a
m context for unit tests
commit
|
commitdiff
|
tree
2015-01-06
Te
e
mu Murt
o
la
U
s
e xvgrclose() for files open
e
d wit
h
x
v
gropen()
commit
|
commitdiff
|
tree
2015-01-02
Teemu
Murtola
Updat
e
copyright year in copy
r
ite
.
c
p
p
commit
|
commitdiff
|
tree
2014-12-28
Teemu Mur
t
ola
Conve
r
t gmx-i
n
s
e
rt-mole
c
ules i
n
to pr
o
p
e
r C++ module
commit
|
commitdiff
|
tree
2014-12-18
T
e
emu Mur
t
ola
R
ework g
m
x-sol
v
ate to use analysis
n
bsearch
commit
|
commitdiff
|
tree
2014-12-14
Teemu Murtola
C++ inter
f
ac
e
f
or s
u
r
f
ace area
calculati
o
n
commit
|
commitdiff
|
tree
2014-11-27
Teemu Murtola
Clean up gmx
solvate
commit
|
commitdiff
|
tree
2014-11-27
T
eemu Murtola
More
control over file
backups
commit
|
commitdiff
|
tree
2014-11-26
Teemu Murtola
Convert su
r
face area cal
c
ulati
o
n t
o
C
+
+
commit
|
commitdiff
|
tree
2014-11-21
Teemu
M
u
rto
l
a
Des
c
ribe
doc-check in
develo
p
er manual
commit
|
commitdiff
|
tree
2014-10-30
Tee
m
u Mu
r
tol
a
Add more selection un
i
t
tests
commit
|
commitdiff
|
tree
2014-10-30
Teemu Murtola
Fix
m
ore memor
y
leaks in
d
efault group
c
reat
i
o
n
commit
|
commitdiff
|
tree
2014-10-29
Teemu Murtola
Merge
r
elease-5-0 into master
commit
|
commitdiff
|
tree
2014-10-28
T
eemu Murt
o
l
a
Avoid
c
ommo
n
.
h in
c
lusio
n
i
n C
U
DA co
d
e
commit
|
commitdiff
|
tree
2014-10-23
T
eem
u
Murtola
Move truncate() wrapp
e
r to futil
.
h
commit
|
commitdiff
|
tree
2014-10-23
Teem
u
Murtola
Encapsulate use of nice()
commit
|
commitdiff
|
tree
2014-10-22
Teemu Murtola
C
ollect more
p
lat
f
orm-speci
f
i
c code to sysin
f
o
.
h
commit
|
commitdiff
|
tree
2014-10-22
Teemu
M
urtola
Re
n
ame comm
o
n
.
h
t
o class
h
elpers
.
h
commit
|
commitdiff
|
tree
2014-10-14
Teemu Murt
o
la
Check
c
onf
i
g
.
h usage
in doc-check
commit
|
commitdiff
|
tree
2014-09-21
Teemu Murt
o
la
Introduce
a
variable to identify in-source build
commit
|
commitdiff
|
tree
2014-09-21
Tee
m
u Murtola
Sk
i
p
m
an/htm
l
/comple
t
ion ge
n
er
a
tion i
f
no
t
needed
commit
|
commitdiff
|
tree
2014-09-13
Teemu Murtola
E
x
tend sup
p
ort for floa
t
/double
t
ole
r
an
c
es
i
n test
i
ng
commit
|
commitdiff
|
tree
2014-09-12
T
e
emu Mur
t
ola
Run include order check in doc
-
check
commit
|
commitdiff
|
tree
2014-09-05
Teemu Murtola
Remo
v
e unnecessary config
.
h includes
commit
|
commitdiff
|
tree
2014-09-05
Teemu Murtola
Mo
v
e some defi
n
es to
gmxpre
.
h for thread-MPI
commit
|
commitdiff
|
tree
2014-09-04
Tee
m
u Murtola
Include config
.
h dir
e
ctly if used
commit
|
commitdiff
|
tree
2014-08-23
Mar
k
Abraham
Generalize markdown configuration
m
achiner
y
commit
|
commitdiff
|
tree
2014-08-22
Teemu Murtola
M
o
ve
-
nice
handling to Com
m
andLineModuleMana
g
er
commit
|
commitdiff
|
tree
2014-08-20
Teemu Murt
o
la
M
i
sc
.
gmxpre
.
h
-
related
changes
commit
|
commitdiff
|
tree
2014-08-20
Teemu Murtola
Merge release-5-0
i
nto master
commit
|
commitdiff
|
tree
2014-08-20
Teemu
Murtola
Remove unus
e
d co
n
fig
.
h def
i
nes
commit
|
commitdiff
|
tree
2014-08-19
T
e
emu Murto
l
a
Introdu
c
e gmxp
r
e
.
h for truly glo
b
al d
e
finitions
commit
|
commitdiff
|
tree
2014-08-14
Teem
u
Murtola
Fix CMake package co
n
fi
g
after recent version changes
commit
|
commitdiff
|
tree
2014-08-10
Teemu M
u
rtol
a
Improve initAfter
F
irstFra
m
e()
u
s
a
bi
l
ity
commit
|
commitdiff
|
tree
2014-08-10
Te
e
mu M
u
r
t
ola
Make vec
.
h const-correct
w
i
th b
o
t
h C and C++
commit
|
commitdiff
|
tree
2014-08-10
Teemu Murtola
B
a
s
ic
e
xclusion support f
o
r an
a
l
y
sis nbsearch
commit
|
commitdiff
|
tree
2014-08-10
Roland Schulz
Merge r
e
lease-4-6
into release-5-0
commit
|
commitdiff
|
tree
2014-08-09
Teemu Mur
t
ola
A
d
d
S
election::hasOnly
A
toms()
commit
|
commitdiff
|
tree
2014-08-07
Teemu Murto
l
a
Basic support
for 2D
n
eighborhood search for analysis
commit
|
commitdiff
|
tree
2014-08-04
Teemu Mur
t
ola
Verify MD5 s
u
m for FFT
W
download
commit
|
commitdiff
|
tree
2014-08-03
Te
e
m
u
Murtola
Check
frame a
t
om c
o
un
t
b
e
f
or
e
evaluating selections
commit
|
commitdiff
|
tree
2014-07-24
Teemu
Murtola
Do not actua
l
ly install uniqueptr
.
h
commit
|
commitdiff
|
tree
2014-07-10
Teemu M
u
rtol
a
Bump S
O
VERSION
commit
|
commitdiff
|
tree
2014-07-09
Teemu Murt
o
la
C
lean up gmx_h
e
a
d
er_config
commit
|
commitdiff
|
tree
2014-07-09
Teemu Mur
t
ola
Merge rel
e
ase-5-0 into mast
e
r
commit
|
commitdiff
|
tree
2014-07-09
T
e
e
mu
Murtola
Improve
mo
d
ule dep
e
ndency grap
h
layo
u
t
commit
|
commitdiff
|
tree
2014-07-08
Teemu Murtola
Move GMX_CXX1
1
to confi
g
.
h
commit
|
commitdiff
|
tree
2014-07-08
Teemu
M
u
r
t
ol
a
Remove gmx_unique_ptr from options public headers
commit
|
commitdiff
|
tree
2014-07-08
T
e
e
m
u
Murtola
Re
m
ove selec
t
ion
h
elp from
S
electionCollecti
o
n
commit
|
commitdiff
|
tree
2014-07-08
Teem
u
Murtola
Make
doc-
c
h
e
ck pass a
g
ai
n
without warnings
commit
|
commitdiff
|
tree
2014-07-05
Teemu Murtola
M
e
rge relea
s
e-5-0 i
n
to ma
s
t
e
r
commit
|
commitdiff
|
tree
2014-06-30
T
e
emu
M
u
r
t
o
l
a
Merge release-5-0 into master
commit
|
commitdiff
|
tree
2014-06-28
Teemu Murto
l
a
Remove over
e
ager
selection i
n
dex group c
h
e
ck
commit
|
commitdiff
|
tree
2014-06-21
Tee
m
u Murtola
Convert checkpoint
.
c to C
+
+ compilation
commit
|
commitdiff
|
tree
2014-06-07
Teemu
M
urtola
Clean up Fil
e
NameO
p
tionStora
g
e implem
e
n
tation
commit
|
commitdiff
|
tree
2014-06-07
Teemu Mu
r
tola
Move index
.
* to topolo
g
y/
commit
|
commitdiff
|
tree
2014-06-03
M
a
r
k
Abr
a
ha
m
Convert repl_ex
.
c
to C++
commit
|
commitdiff
|
tree
2014-06-02
Teemu Murtola
Move a
t
omprop
.
*
t
o topolog
y
/
commit
|
commitdiff
|
tree
2014-05-31
Teemu Murtola
Move mto
p
_util
.
* and topsort
.
* to topol
o
gy/
commit
|
commitdiff
|
tree
2014-05-29
Teemu
Murtol
a
Remov
e
mo
r
e uses of
t
ypedefs
.
h
commit
|
commitdiff
|
tree
2014-05-25
Teemu Mur
t
ola
Move g
e
n
e
ral functions
o
ut of
typed
e
fs
.
h
commit
|
commitdiff
|
tree
2014-05-25
T
e
emu Murtola
Remove some ty
p
e
defs
.
h depend
e
nc
i
es
commit
|
commitdiff
|
tree
2014-05-25
Tee
m
u
Mur
t
ola
Move types/topology
.
h t
o
topology/
commit
|
commitdiff
|
tree
2014-05-24
Teemu Mur
t
ola
Mo
v
e types/i
d
ef
.
h to
topology/
commit
|
commitdiff
|
tree
2014-05-21
Teemu
Murtola
Mov
e
mshift
.
* to
pbcutil/
commit
|
commitdiff
|
tree
2014-05-21
T
e
emu Mur
t
ola
Me
r
ge t_g
r
aph definition into mshi
f
t
.
h
commit
|
commitdiff
|
tree
2014-05-18
T
ee
m
u Mur
t
ola
Clean up matio
.
*
commit
|
commitdiff
|
tree
2014-05-17
Teemu Mu
r
t
o
la
More elaborate defa
u
lt h
a
ndling for Fi
l
e
N
a
m
eO
p
tion
commit
|
commitdiff
|
tree
2014-05-01
Teemu Murtola
Fix incorrect limits in F
l
oatOptionStora
g
e
commit
|
commitdiff
|
tree
2014-04-27
Te
e
mu Murtola
Move 're
a
l'
d
e
finition to utility/real
.
h
commit
|
commitdiff
|
tree
2014-04-16
Tee
m
u Murtol
a
Remove unused minvert
.
h
commit
|
commitdiff
|
tree
2014-04-13
Teemu M
u
rtola
Remove unused shift
.
h
commit
|
commitdiff
|
tree
2014-04-08
Teem
u
Murtol
a
V
ersio
n
bump f
o
r p
o
st-5
.
0 development
commit
|
commitdiff
|
tree
2014-04-04
Teemu Murtola
Rem
o
ve an
c
ient SGI-sp
e
c
i
fic code
commit
|
commitdiff
|
tree
2014-04-04
Teemu Murtola
Clean up gmx_fatal
.
*
commit
|
commitdiff
|
tree
2014-03-30
Te
e
mu Mu
r
tola
C
lean
up stri
n
g2
.
h-related i
n
cludes
commit
|
commitdiff
|
tree
2014-03-27
Teemu Murtola
Move
include depende
n
cy checks to do
c
-check
commit
|
commitdiff
|
tree
2014-03-27
Teemu Murtol
a
Better automate
d
Doxyge
n
do
c
umentation
c
h
e
cker
commit
|
commitdiff
|
tree
2014-03-27
T
eemu Murtola
Misc
.
Doxygen fixes
commit
|
commitdiff
|
tree
2014-03-27
Teemu
Mur
t
o
la
Move thread_m
p
i
to src/external/
commit
|
commitdiff
|
tree
2014-03-24
T
e
e
m
u Mur
t
ola
Remove gmxpr
e
process from in
c
lude pat
h
commit
|
commitdiff
|
tree
2014-03-08
Teem
u
M
urtola
Remo
v
e some unnecessary declarat
i
ons
commit
|
commitdiff
|
tree
2014-02-28
T
e
emu
Murtola
R
esidual
SIMD
Doxygen improvements
commit
|
commitdiff
|
tree
2014-02-28
Teemu Mur
t
ola
Misc
.
Doxygen
c
onfigu
r
ation changes
commit
|
commitdiff
|
tree
2014-02-26
T
e
e
mu
M
urtola
Fix GMX_PRIu32
a
nd GMX_PRIu64 for MSVC
commit
|
commitdiff
|
tree
2014-02-25
Mar
k
Abraham
Keep compile
r
s
happy on BG/
Q
commit
|
commitdiff
|
tree
2014-02-15
T
e
emu Murtola
Fix some broke
n
li
n
ks in
H
TML pages
commit
|
commitdiff
|
tree
2014-02-09
Teemu Mu
r
tola
Shell completi
o
n
s
through Optio
n
s
commit
|
commitdiff
|
tree
2014-02-03
Mark Abraham
A
dd
hack
to
fix genbox
commit
|
commitdiff
|
tree
2014-02-02
Teemu
M
urtola
Extend
v
al
g
rin
d
s
u
p
p
ressions
f
o
r Open
M
PI
commit
|
commitdiff
|
tree
2014-01-30
Teemu
Murtola
O
vervi
e
w
d
ocs f
o
r using Gromacs as a library
commit
|
commitdiff
|
tree
2014-01-30
Teemu Murt
o
la
Rename ProgramInfo
t
o Comma
n
dLineProgramCont
e
xt
commit
|
commitdiff
|
tree
2014-01-29
Te
e
mu Mu
r
tola
P
rint
c
om
m
on optio
n
s to 'gmx -h'
commit
|
commitdiff
|
tree
2014-01-22
Teem
u
Mur
t
ola
Use local ProgramIn
f
o in Comma
n
dLineModuleM
a
nag
e
r
commit
|
commitdiff
|
tree
2014-01-21
Teemu
M
urtol
a
Remove unused s
p
lit
.
h
commit
|
commitdiff
|
tree
2014-01-20
Teemu Murtola
Fi
x
test reference data
commit
|
commitdiff
|
tree
2014-01-05
Teemu
Murtola
Supp
o
r
t
f
or
default
v
al
u
es fo
r
Selec
t
ionOpti
o
n
commit
|
commitdiff
|
tree
next