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Moved pull params to mdtypes/pull-params.h
2015-07-24
T
eemu Murtola
Re
n
am
e
trnio routines
commit
|
commitdiff
|
tree
2015-07-24
Te
e
m
u
Murtola
Rename trnio
.
* to trrio
.
*
commit
|
commitdiff
|
tree
2015-07-23
Teemu Murtola
Split espres
s
o I/O routines from confio
.
cpp
commit
|
commitdiff
|
tree
2015-07-22
Teem
u
Murtola
Split gro
I
/O rou
t
ines from conf
i
o
.
cpp
commit
|
commitdiff
|
tree
2015-07-22
Teemu
M
u
rtola
Split g96
I
/O
r
ou
t
ines
f
rom
c
onfio
.
cpp
commit
|
commitdiff
|
tree
2015-07-22
Teem
u
Murtola
Move rea
d
_
t
ps_con
f
()
t
o
confio
.
h
commit
|
commitdiff
|
tree
2015-07-22
T
e
emu Mu
r
tola
Add basic tests f
o
r readi
n
g
/wri
t
i
n
g structure files
commit
|
commitdiff
|
tree
2015-07-20
Te
e
mu Murto
l
a
Merge release-5-0 in
t
o
r
elease-5-1
commit
|
commitdiff
|
tree
2015-07-18
Teemu
M
urt
o
la
Move
O
ptions::setDescr
i
ption() elsewhere
commit
|
commitdiff
|
tree
2015-07-18
T
e
emu Murt
o
l
a
Ch
a
nge
n
aming
convention for C++ i
n
terface
s
commit
|
commitdiff
|
tree
2015-07-10
Teemu Murtola
More gm
x
fio
s
impli
f
i
c
ation
commit
|
commitdiff
|
tree
2015-07-09
Teemu Murtola
Fix -
d
eff
n
m
-multi
[
di
r
]
commit
|
commitdiff
|
tree
2015-07-07
T
e
emu Murtola
Wrap
u
s
e
s of th
r
ead_mpi/mu
t
ex
.
h
commit
|
commitdiff
|
tree
2015-07-05
Teemu Murtola
Improve gmx help
-export Sphinx rebu
i
l
d
be
h
avio
r
commit
|
commitdiff
|
tree
2015-07-04
T
e
em
u
Mu
r
tola
Fix
error wrappin
g
in intera
c
ti
v
e se
l
e
ct
i
on
i
nput
commit
|
commitdiff
|
tree
2015-07-04
Teemu
Murt
o
la
Tests for interactive selectio
n
input
commit
|
commitdiff
|
tree
2015-07-04
Teem
u
M
u
rt
o
la
Fix copy-
p
a
s
te bug in gmx d
i
s
tan
c
e
commit
|
commitdiff
|
tree
2015-07-04
Teem
u
Murtola
R
e
f
a
ctor for
test
i
ng in
t
eracti
v
e selection input
commit
|
commitdiff
|
tree
2015-07-04
Tee
m
u
Murtola
Remo
v
e
g
m
x
:
:File (except fo
r
File::exists()
)
commit
|
commitdiff
|
tree
2015-07-04
Te
e
mu Murtola
Replace direct uses of gmx::File with streams
commit
|
commitdiff
|
tree
2015-07-04
Teemu Murtola
Bump various version numbers
commit
|
commitdiff
|
tree
2015-07-04
Teemu
Murtola
Mak
e
s
o
me unit tests use moc
k
file output
commit
|
commitdiff
|
tree
2015-07-02
T
e
emu Murtola
C
o
nvert gmxfio to C+
+
commit
|
commitdiff
|
tree
2015-07-02
Teemu Murtola
R
emove status messages abou
t
S
p
hinx detection
commit
|
commitdiff
|
tree
2015-07-02
Teemu Murtola
Clean up gmxfio include
s
commit
|
commitdiff
|
tree
2015-07-02
T
e
emu Murto
l
a
Reord
e
r co
d
e
within
g
mxfio
commit
|
commitdiff
|
tree
2015-07-02
T
eemu Murtol
a
Further gmxfio clea
n
up relate
d
to xdr handl
i
ng
commit
|
commitdiff
|
tree
2015-07-02
Tee
m
u
Murtola
Minor include s
o
rting changes
commit
|
commitdiff
|
tree
2015-07-01
Teemu Murto
l
a
C
l
e
a
n
up
u
nused code from gmxfio
commit
|
commitdiff
|
tree
2015-06-29
Teemu Murto
l
a
Onl
y
accept
e
xa
c
t matches for se
l
ection
keywords
commit
|
commitdiff
|
tree
2015-06-29
Tee
m
u
Murtola
Make some unit
tests
s
k
i
p
fi
l
e system a
c
cess
commit
|
commitdiff
|
tree
2015-06-27
Teemu Murtol
a
Docu
m
ent to
o
l
changes
i
n 5
.
1
commit
|
commitdiff
|
tree
2015-06-25
Teemu Murtola
Move docum
e
ntation on
t
oo
l
c
ha
n
ge
s
fr
o
m wiki
commit
|
commitdiff
|
tree
2015-06-17
Teemu Murtola
Minor
c
le
a
n
up f
o
r refd
a
ta
.
*
commit
|
commitdiff
|
tree
2015-06-17
Teemu Murtola
Im
p
rove logic fo
r
automatic
s
election names
commit
|
commitdiff
|
tree
2015-06-16
Teemu Murtola
Fix
b
roken links
from the old flow c
h
a
rt
commit
|
commitdiff
|
tree
2015-06-12
Teemu Murtola
Update hel
p
output
commit
|
commitdiff
|
tree
2015-06-12
T
ee
m
u
M
ur
t
ola
Improve uncrustify Jenkins builds
commit
|
commitdiff
|
tree
2015-06-12
Teemu Murtola
Initial docs for
Jenkins inte
g
ration
commit
|
commitdiff
|
tree
2015-06-12
Te
e
mu
M
u
r
tola
Initial
b
u
ild system do
c
ume
n
tat
i
on in dev
g
uide
commit
|
commitdiff
|
tree
2015-06-12
Teemu
M
urtola
I
m
prove
J
enkins docs build
commit
|
commitdiff
|
tree
2015-06-12
T
eemu Mur
t
ola
Extend source
layout descrip
t
ion in dev gui
d
e
commit
|
commitdiff
|
tree
2015-06-11
Teem
u
Murtola
Script
for Jenk
i
n
s documentat
i
o
n
b
u
ild
commit
|
commitdiff
|
tree
2015-06-09
T
e
em
u
M
u
rtola
Misc
.
impro
v
ement
s
to docs bui
l
d system
commit
|
commitdiff
|
tree
2015-06-09
T
e
emu
M
u
rtola
A
d
d d
e
scription of
r
e
lo
c
a
t
a
ble
binaries
commit
|
commitdiff
|
tree
2015-06-09
Teemu M
u
r
t
ola
Resolve one TODO for
c
ommand l
i
n
e help tests
commit
|
commitdiff
|
tree
2015-06-09
Teemu Murtola
Improv
e
user
guide t
e
xt for comman
d
line
i
nter
f
ace
commit
|
commitdiff
|
tree
2015-06-04
Teemu Murtola
F
i
x potential FPE in selection tests
commit
|
commitdiff
|
tree
2015-06-04
Teemu Murtola
Ref
a
ctor rst parsing for console o
u
tput
commit
|
commitdiff
|
tree
2015-06-04
Teemu Murtola
R
e
place gromacs
.
7 man page with gmx
.
1
commit
|
commitdiff
|
tree
2015-06-04
Teemu Murto
l
a
Document cu
r
rent
h
e
lp formatting
commit
|
commitdiff
|
tree
2015-06-04
Teemu
M
u
r
t
ola
Basic support fo
r
titles
within tool help
commit
|
commitdiff
|
tree
2015-06-04
Teemu Murto
l
a
Support rst t
a
ble
s
in tool help texts
commit
|
commitdiff
|
tree
2015-05-28
Teemu M
u
r
t
ola
Improv
e
lists in user guide for selections
commit
|
commitdiff
|
tree
2015-05-28
Teemu Murtola
Addi
t
iona
l
selection examples
commit
|
commitdiff
|
tree
2015-05-25
Teemu
Murtola
Ove
r
v
iew
d
o
c
s for analy
s
is n
b
search
commit
|
commitdiff
|
tree
2015-05-24
T
eemu Murtola
I
nclude
s
e
l
ection keyword details in user guide
commit
|
commitdiff
|
tree
2015-05-22
Teemu Murtola
Allow any order for sectio
n
s
in 'g
m
x help -
e
xpor
t
'
commit
|
commitdiff
|
tree
2015-05-22
Teemu Murto
l
a
Base to get
a
ll
'
gmx hel
p
'
contents to user
guide
commit
|
commitdiff
|
tree
2015-05-22
T
eemu
Mu
r
tola
Merge re
l
ease-5-0 into mas
t
e
r
commit
|
commitdiff
|
tree
2015-05-22
T
e
e
mu Murtola
A
v
o
i
d crash
w
it
h
e
m
p
t
y reference for 'same
as' se
l
ecti
o
n
commit
|
commitdiff
|
tree
2015-05-22
Teemu Mu
r
tola
Add s
u
bsection depth t
o
HelpWrite
r
Context
commit
|
commitdiff
|
tree
2015-05-22
Teemu Murtola
Ad
d
note a
b
out
ato
m
order in selec
t
ion
s
commit
|
commitdiff
|
tree
2015-05-21
Teemu Murtola
Restructure C
o
m
mandLineModu
l
e
M
a
na
g
er
t
e
s
ts
commit
|
commitdiff
|
tree
2015-05-20
Teemu Murtola
Fix handli
n
g of
r
eal-
v
alued '
t
o' selection rang
e
s
commit
|
commitdiff
|
tree
2015-05-20
Teemu Murtola
Fix dependencies
f
o
r regression test custom targ
e
t
commit
|
commitdiff
|
tree
2015-05-20
T
eemu Murtola
Some tests
for
'
gmx h
e
lp -
e
xport
rst'
commit
|
commitdiff
|
tree
2015-05-18
Teemu Murtola
Merge "Merge bran
c
h o
r
igin/relea
s
e
-5-0"
commit
|
commitdiff
|
tree
2015-05-17
Teemu Murtola
Move
a
f
e
w
defin
e
s
t
o
buildinfo
.
h
commit
|
commitdiff
|
tree
2015-05-13
Teemu
Murtola
Remove remaining old-html conte
n
t
commit
|
commitdiff
|
tree
2015-05-11
T
e
emu Murtola
Use sin
g
le
va
r
iable for expected
Doxygen version
commit
|
commitdiff
|
tree
2015-05-10
Teemu M
u
rtola
Move so
m
e t
e
stu
t
i
ls and ov
e
r
v
iew docs to d
e
v guide
commit
|
commitdiff
|
tree
2015-05-10
T
eemu Murtol
a
Print c
o
rrec
t
order
f
or inclu
d
e or
d
er/
s
tyle
issues
commit
|
commitdiff
|
tree
2015-05-10
T
eemu
M
urtola
Improve bu
i
ld s
y
ste
m
fo
r
Sphinx
commit
|
commitdiff
|
tree
2015-05-10
Teemu Murtola
Conv
e
rt devel
o
per
m
a
n
ual
t
o rs
t
commit
|
commitdiff
|
tree
2015-05-05
Teemu
Murto
l
a
A
void rounding errors affecting
r
e
sults i
n
one test
commit
|
commitdiff
|
tree
2015-04-24
Teemu Murto
l
a
Add section o
n
naming conventions
t
o
d
ev manu
a
l
commit
|
commitdiff
|
tree
2015-02-13
Te
e
mu Murtola
Replace more [BR] with
r
st bullet list
s
commit
|
commitdiff
|
tree
2015-02-13
Teemu
Murt
o
la
Re
p
lace some [BR] in h
e
lp
texts with
r
st l
i
terals
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Move f
l
ow chart fr
o
m
o
ld-html to Sphinx
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Make (most) H
T
ML
li
n
ks t
o
file
formats work aga
i
n
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtol
a
C
o
n
vert file
format descriptions to rs
t
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Gener
a
te man
p
ages th
r
ough
S
phinx
commit
|
commitdiff
|
tree
2015-02-13
Teem
u
Mur
t
o
l
a
Repla
c
e tool HTML h
e
l
p
with Sphinx-gener
a
ted docs
commit
|
commitdiff
|
tree
2015-02-07
Teemu Murtol
a
Support more
c
omplex fixe
d
po
s
ition
s
e
l
ec
t
ions
commit
|
commitdiff
|
tree
2015-01-29
Teemu Mur
t
ola
Add input
f
ile
o
pt
i
ons that accept mi
s
sing files
commit
|
commitdiff
|
tree
2015-01-24
T
eemu Murto
l
a
Remo
v
e old selecti
o
n parser err
o
r handling
c
ode
commit
|
commitdiff
|
tree
2015-01-24
Teemu Murtola
Impro
v
e s
e
lection e
r
ror
m
essa
g
es (use exceptions)
commit
|
commitdiff
|
tree
2015-01-23
T
eemu Murtola
Ignore
test-only d
e
pendency cycles
commit
|
commitdiff
|
tree
2015-01-20
Teemu Mur
t
ola
Make data
file path search more
r
e
usable
commit
|
commitdiff
|
tree
2015-01-20
Teemu
M
urtola
C
o
n
vert forcefiel
d
search to C++
commit
|
commitdiff
|
tree
2015-01-19
Teemu Murto
l
a
Remove
A
nalysisNeighborh
o
od::setUseBou
n
dingBox()
commit
|
commitdiff
|
tree
2015-01-17
Teem
u
Murtola
Merge
"
Merge
bran
c
h release-5-0"
commit
|
commitdiff
|
tree
2015-01-08
Teemu Mu
r
tola
Re
f
act
o
r logic for finding sh
a
re/top/ fi
l
es
commit
|
commitdiff
|
tree
2015-01-08
T
e
emu M
u
rtola
Clo
s
ed some
.
xvg files that were be
i
ng left open
commit
|
commitdiff
|
tree
2015-01-07
Teemu Murtola
Custom prog
r
am context for unit tests
commit
|
commitdiff
|
tree
2015-01-07
Teemu Mu
r
tola
Split unit test init from testop
t
ions
.
cpp
commit
|
commitdiff
|
tree
2015-01-06
Te
e
mu Mur
t
ola
Use analysis nbs
e
arch
for surface area calculatio
n
commit
|
commitdiff
|
tree
2015-01-06
Teemu Murtol
a
Use xvgr
c
lose() for file
s
opened with xv
g
rop
e
n()
commit
|
commitdiff
|
tree
2015-01-05
T
e
e
m
u
Murtola
S
u
pport
sub
s
et of rvec array as input for analysis
.
.
.
commit
|
commitdiff
|
tree
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