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Convert some config.h macros to use 0/1
2016-01-10
Teemu Murtola
C
onver
t
s
o
me config
.
h macros
t
o us
e
0/1
commit
|
commitdiff
|
tree
2016-01-05
T
e
emu Murtola
Update
p
a
c
kaging build
commit
|
commitdiff
|
tree
2015-12-31
Teem
u
M
u
r
t
ola
Re
p
ort used defines in check-sou
r
ce
commit
|
commitdiff
|
tree
2015-12-29
Teemu M
u
rtola
P
a
ckag
i
ng bu
i
ld
sc
r
ipt for web s
i
te
commit
|
commitdiff
|
tree
2015-12-29
T
eemu
Murto
l
a
Reduce in
p
utrec
.
h
dependencies
commit
|
commitdiff
|
tree
2015-12-27
Teemu Murtola
I
mprove text writing in help output
commit
|
commitdiff
|
tree
2015-12-27
T
eemu Murto
l
a
S
ource packagin
g
with new releng
commit
|
commitdiff
|
tree
2015-12-27
Teemu Murto
l
a
Further vec
.
h cleanup
commit
|
commitdiff
|
tree
2015-12-26
Tee
m
u Murtola
Cle
a
n up vec
.
h
commit
|
commitdiff
|
tree
2015-12-24
Teemu Murtola
Add fu
n
ctional
i
ty t
o
TextWriter
commit
|
commitdiff
|
tree
2015-12-20
Te
e
m
u
Murt
o
la
Fix mo
s
t warnings with Doxygen 1
.
8
.
10
commit
|
commitdiff
|
tree
2015-12-19
Teemu Mu
r
tol
a
Update versioning for
n
e
w
scheme
commit
|
commitdiff
|
tree
2015-12-16
Teemu M
u
r
t
o
l
a
Move calcgrid
.
*
to f
f
t
/
commit
|
commitdiff
|
tree
2015-12-15
T
e
e
m
u Murtola
M
o
v
e
main
.
*
,
splitter
.
*, gmx_omp
_
nthreads
.
* to mdlib
commit
|
commitdiff
|
tree
2015-12-15
Teemu M
u
r
tola
Move
readinp
.
* and warni
n
p
.
*
to fileio/
commit
|
commitdiff
|
tree
2015-12-15
Teemu Mur
t
ola
Move hardware
d
etection to hardware/
commit
|
commitdiff
|
tree
2015-12-15
Teem
u
Murt
o
la
Move s
o
me
m
d
r
u
n
c
ode out of gm
x
lib/
commit
|
commitdiff
|
tree
2015-12-15
T
e
emu Murtola
Move gpu_utils etc
.
out of gmxlib
commit
|
commitdiff
|
tree
2015-12-14
Teemu Mu
r
tola
Ins
t
all
b
asever
s
i
on
.
h
commit
|
commitdiff
|
tree
2015-12-12
Teemu M
u
rtola
Create separate modul
e
for trajectory data
commit
|
commitdiff
|
tree
2015-12-12
Teemu M
u
rtola
Mo
v
e disre
.
* an
d
orir
e
s
.
* to listed-
f
orc
e
s
/
commit
|
commitdiff
|
tree
2015-12-12
Tee
m
u Murtola
Move ifunc
.
* to topology/
commit
|
commitdiff
|
tree
2015-12-12
Tee
m
u Murto
l
a
Move
put
_
a
t
oms_in_box_o
m
p()
t
o sim_util
.
*
commit
|
commitdiff
|
tree
2015-12-12
Te
e
mu Mu
r
tola
R
e
move topology -> f
i
l
eio de
p
e
nden
c
y
commit
|
commitdiff
|
tree
2015-12-11
Teemu
M
urt
o
la
Merge "Merge
b
r
a
nch 'origin/rele
a
se-5-1'"
commit
|
commitdiff
|
tree
2015-12-09
T
e
e
mu Murtol
a
Split
txtd
u
mp
.
*, part 2
commit
|
commitdiff
|
tree
2015-12-09
Teemu Murtol
a
Split txtdump
.
*, p
a
rt 1
commit
|
commitdiff
|
tree
2015-12-03
Teemu Murtola
Move strd
b
.
* t
o
u
t
ility/
commit
|
commitdiff
|
tree
2015-12-03
Teem
u
Mu
r
tola
M
o
v
e
f
i
le
n
m
.
*
to co
m
mandline
commit
|
commitdiff
|
tree
2015-12-02
T
eemu Murtola
Split
f
ilenm
.
*
commit
|
commitdiff
|
tree
2015-11-30
Teemu M
u
r
tola
Remove topology
-> mdtypes dependency
commit
|
commitdiff
|
tree
2015-11-30
Teemu Murtola
R
emove
o
bsol
e
te re
f
erences to l
e
gacyhea
d
e
r
s
/
commit
|
commitdiff
|
tree
2015-11-30
Tee
m
u
Mur
t
o
l
a
Merge
r
em
a
inin
g
legacyheaders/types/ to mdtyp
e
s/
commit
|
commitdiff
|
tree
2015-11-30
Teemu
M
urto
l
a
Mo
v
e
ifun
c
.
h
t
o gmxl
i
b
commit
|
commitdiff
|
tree
2015-11-30
T
eemu Murtola
Move force_flags
.
h to m
d
lib/
commit
|
commitdiff
|
tree
2015-11-30
T
eemu Murtola
libgromacs CMake source file m
a
nagement cleanup
commit
|
commitdiff
|
tree
2015-11-30
Te
e
mu
Mur
t
o
l
a
Move hardware
info st
r
ucts
t
o hardware/
commit
|
commitdiff
|
tree
2015-11-30
Teem
u
Murtola
Cle
a
n
up some selection code
commit
|
commitdiff
|
tree
2015-11-23
Teemu
Murtola
Move precision dete
c
tion symbo
l
s
t
o
basevers
i
on
.
*
commit
|
commitdiff
|
tree
2015-11-22
Teemu Murtola
Remove corr
e
lationfunctions -> mdty
p
es dependency
commit
|
commitdiff
|
tree
2015-11-21
T
e
emu Murtola
Use v
.
data() instead of &v[0] for C interop
commit
|
commitdiff
|
tree
2015-11-15
Teemu
M
urtola
A
dd En
u
mOption
w
ith
s
u
p
port for proper enum ty
p
es
commit
|
commitdiff
|
tree
2015-11-15
T
e
emu Murtola
Fix rep
o
rting of
u
n
use
d
cycle supp
r
ess
i
ons
commit
|
commitdiff
|
tree
2015-11-14
Teemu Murtola
Mo
v
e ne
t
work
.
h t
o
gmxlib/
commit
|
commitdiff
|
tree
2015-11-14
Tee
m
u
M
urtola
Move gmx_ga2
l
a
.
h t
o
domdec/
commit
|
commitdiff
|
tree
2015-11-13
T
e
emu Murtola
Re
m
ove t_c
o
mmrec dependency from cmdli
n
einit
.
cpp
commit
|
commitdiff
|
tree
2015-11-13
Teem
u
Murtola
M
o
ve gmx_detect_hardware
.
h
to
gmxl
i
b/
commit
|
commitdiff
|
tree
2015-11-13
Teemu Murtola
Mov
e
n
on
b
onded
.
h to gmxlib/nonbonded/
commit
|
commitdiff
|
tree
2015-11-13
Teemu Murtola
Let users
build without compile
r
w
a
rning
s
commit
|
commitdiff
|
tree
2015-11-13
Teemu M
u
rtola
Me
r
ge t
y
pes/nsgri
d
.
h
into
n
sgrid
.
h
commit
|
commitdiff
|
tree
2015-11-13
Tee
m
u Murtol
a
Report unus
e
d
cycle suppress
i
o
ns
commit
|
commitdiff
|
tree
2015-11-11
Tee
m
u Murto
l
a
Support
i
n
s
pect
i
ng exp
e
cte
d
e
r
r
o
r
messages in tests
commit
|
commitdiff
|
tree
2015-11-11
T
e
em
u
Murtola
Remov
e
b
uild s
y
s
tem for b
o
o
st
commit
|
commitdiff
|
tree
2015-11-10
Teemu Murtol
a
Remo
v
e remaining b
o
ost depen
d
encies
commit
|
commitdiff
|
tree
2015-11-07
Te
e
mu Murto
l
a
Remove
misc
.
copyrite
.
h functions
commit
|
commitdiff
|
tree
2015-11-07
Teemu Murtola
Move gmx_omp_nt
h
reads
.
h and
gmx_thread_affin
i
t
y
.
h to
.
.
.
commit
|
commitdiff
|
tree
2015-11-06
Teemu Murtola
M
o
ve PBC enu
m
s to pbc
.
*
commit
|
commitdiff
|
tree
2015-11-06
T
e
emu
M
urtola
M
ove ns
.
h a
n
d ns
g
rid
.
h to md
l
ib/
commit
|
commitdiff
|
tree
2015-11-06
Teemu
M
urtola
M
o
ve force
.
h
a
nd vsite
.
h
i
nto m
d
lib/
commit
|
commitdiff
|
tree
2015-11-05
Teemu
M
u
r
tola
Move
types/rgb
.
h to fil
e
io/
commit
|
commitdiff
|
tree
2015-11-04
Te
e
mu Murtola
Merge "M
e
rge branch
r
ele
a
se-5-1"
commit
|
commitdiff
|
tree
2015-11-03
Teemu Murtol
a
Upda
t
e build script
s
to m
a
t
ch re
l
eng refactoring
commit
|
commitdiff
|
tree
2015-11-02
T
e
emu Murtola
Replace boost::exception_ptr with std::excepti
o
n_ptr
commit
|
commitdiff
|
tree
2015-11-01
T
eemu
Murtola
Remo
v
e r
e
mai
n
ing scoped_
p
trs
commit
|
commitdiff
|
tree
2015-11-01
Teemu Murto
l
a
Rem
o
ve
m
ore sc
o
ped_ptr uses
commit
|
commitdiff
|
tree
2015-10-28
Teemu Murtola
Remove
u
n
us
e
d Traj
e
cto
r
yA
n
alysi
s
Module cod
e
commit
|
commitdiff
|
tree
2015-10-27
Te
e
mu Murtola
Additional checks for
s
election inp
u
t
commit
|
commitdiff
|
tree
2015-10-26
Teemu Murto
l
a
R
emove
s
o
m
e
boost::scoped_p
t
r
u
ses
commit
|
commitdiff
|
tree
2015-10-25
Teemu Murtola
Fix missin
g
h
e
lp text for traj
e
ctory a
n
alysis t
o
ol
s
commit
|
commitdiff
|
tree
2015-10-24
Teemu Murtol
a
Change some
s
h
ared_pt
r
s back t
o
u
nique_ptr
commit
|
commitdiff
|
tree
2015-10-22
T
e
emu Murtola
Additional nor
m
alization options for gmx r
d
f
commit
|
commitdiff
|
tree
2015-10-22
Teemu
M
u
r
tola
Use in
c
lu
d
e_directories(
S
YSTEM
.
.
.
)
c
onsiste
n
tly
commit
|
commitdiff
|
tree
2015-10-22
T
eemu
M
urtol
a
Clean
u
p and improve fatal err
o
r h
a
n
d
l
ing
commit
|
commitdiff
|
tree
2015-10-19
Teemu Murtol
a
Split
EnumIntOption fr
o
m St
r
ingOp
t
ion
commit
|
commitdiff
|
tree
2015-10-14
T
eem
u
Mu
r
tola
Make bash com
p
letions work with bash --posix
commit
|
commitdiff
|
tree
2015-10-13
Teemu
M
u
rtola
Improve
d
ocum
e
n
t
ati
o
n and
tests for refda
t
a
commit
|
commitdiff
|
tree
2015-10-12
Teemu Murtola
Hide implemen
t
ation details from cmdline
r
unn
e
r
.
h
commit
|
commitdiff
|
tree
2015-10-12
Teem
u
Murtola
Improv
e
g
m
x sa
s
a test
s
a
n
d
clean up -o
r
ha
n
dling
commit
|
commitdiff
|
tree
2015-10-11
Tee
m
u Murtola
Remove obso
l
et
e
build scripts
commit
|
commitdiff
|
tree
2015-10-08
T
e
emu Mu
r
tol
a
Remo
v
e unused error handling cod
e
commit
|
commitdiff
|
tree
2015-10-05
Teemu Murtola
Make usi
n
g C++
t
ype w
i
th snew() a compiler err
o
r
commit
|
commitdiff
|
tree
2015-10-05
Teemu
M
urtola
More detailed e
r
ror message for mi
s
sing fil
e
s
commit
|
commitdiff
|
tree
2015-10-03
Teemu Murto
l
a
Silence Pyth
o
n detection on CMake rer
u
n
commit
|
commitdiff
|
tree
2015-10-03
Teemu Murtola
M
e
rge branch r
e
lease-5-1 into ma
s
ter
commit
|
commitdiff
|
tree
2015-10-03
Teemu Mur
t
o
l
a
Minor c
l
eanup in
g
mx
ins
e
rt-m
o
lecules
commit
|
commitdiff
|
tree
2015-10-03
Tee
m
u
M
u
r
t
o
l
a
Use
AtomsBuilder in gmx i
n
sert-molecu
l
e
s
commit
|
commitdiff
|
tree
2015-10-03
T
ee
m
u M
u
rto
l
a
U
s
e more st
d
::vector for s
o
lvate/insert-
m
olecules
commit
|
commitdiff
|
tree
2015-10-03
Teem
u
M
u
rtola
Use std::
v
ector for makeE
x
c
l
usio
n
Dista
n
ces()
commit
|
commitdiff
|
tree
2015-10-03
T
e
emu Murtola
Remove S
e
le
c
tionO
p
tionB
e
ha
v
ior::useDefaultGroups
commit
|
commitdiff
|
tree
2015-10-03
T
eemu Murtola
Move reusable c
o
d
e
into SelectionOptionB
e
havior
commit
|
commitdiff
|
tree
2015-10-03
T
ee
m
u Mur
t
ola
Add --ref-data upd
a
t
e-chan
g
e
d
commit
|
commitdiff
|
tree
2015-10-03
Teemu
Murtola
M
a
ke cmdl
i
n
e
runner
.
cpp use ICommandLineOptionsMod
u
l
e
commit
|
commitdiff
|
tree
2015-10-02
Te
e
m
u Murt
o
la
Fix -s
e
ltype option for
C
++ to
o
ls
commit
|
commitdiff
|
tree
2015-10-02
Teemu Murtola
M
o
re flexible API for xv
g
testing
commit
|
commitdiff
|
tree
2015-10-02
Teem
u
Murtola
More headers out of legacyhead
e
rs
commit
|
commitdiff
|
tree
2015-10-01
Teemu Murtola
Enable time uni
t
and selecti
o
ns in IComman
d
LineOptionsModule
commit
|
commitdiff
|
tree
2015-10-01
T
e
emu
M
urtola
Conver
t
nb_free_energ
y
.
c to
C
+
+
commit
|
commitdiff
|
tree
2015-10-01
Tee
m
u Mur
t
ola
M
o
ve mdoutf an
d
t
rajector
y
_
w
ri
t
ing to mdli
b
commit
|
commitdiff
|
tree
2015-09-27
Teemu
M
urto
l
a
Remove unnecessary include
s
f
rom l
e
gacyhead
e
r
s
/
commit
|
commitdiff
|
tree
2015-09-27
Teemu Murto
l
a
Mo
v
e
v
iewit
.
* to c
o
mmandli
n
e
/
commit
|
commitdiff
|
tree
next