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Fixed typos in output.
2015-11-30
Magnus Lundb
o
rg
Fixed typos in
o
utput
.
commit
|
commitdiff
|
tree
2015-11-30
Erik L
i
n
dah
l
C++ classes
for cpuid and
h
a
r
dware topolog
y
commit
|
commitdiff
|
tree
2015-11-30
Teemu Murtola
Cle
a
n up some selectio
n
code
commit
|
commitdiff
|
tree
2015-11-23
Teemu Murtola
M
ove p
r
ecisio
n
detec
t
i
o
n symbo
l
s to basevers
i
on
.
*
commit
|
commitdiff
|
tree
2015-11-22
M
ark Ab
r
aham
Fi
x
gener
i
c
g
r
oup-scheme ker
n
el
t
able dereferencing
commit
|
commitdiff
|
tree
2015-11-21
David van der Spoel
Merged genb
o
rn
.
h
from legacyhe
a
ders/types into m
d
lib
.
.
.
commit
|
commitdiff
|
tree
2015-11-20
M
a
rk Abra
h
am
Remove ewcWAI
T
_
G
PU_N
B
_L_EST
commit
|
commitdiff
|
tree
2015-11-20
Dav
i
d van der Spoel
Mo
v
ed leg
a
cyhe
a
d
ers/types/en
e
rgy
.
h to m
d
types
.
commit
|
commitdiff
|
tree
2015-11-19
Mark
Abr
a
ham
Simplified in
i
t and mdrun cod
e
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
Fix
use of #if vs #ifdef
commit
|
commitdiff
|
tree
2015-11-16
M
ark Abraham
Fix
A
lig
n
edAlloc
a
tor with MSVC2015 debug mode
commit
|
commitdiff
|
tree
2015-11-16
Erik Lind
a
hl
Remove
unused
code detect
e
d
by PGI compil
e
r
commit
|
commitdiff
|
tree
2015-11-16
Mark Abr
a
h
a
m
Remo
v
e "sup
p
ort" for tw
i
n-range with VV int
e
grators
commit
|
commitdiff
|
tree
2015-11-15
Teemu
M
urtola
Add EnumOption with support for
proper enum
t
y
p
es
commit
|
commitdiff
|
tree
2015-11-15
David van der S
p
oel
Merged legacyhe
a
ders/type
s
/inputre
c
.
h into mdty
p
es
.
.
.
commit
|
commitdiff
|
tree
2015-11-15
Teemu Murtola
Fix report
i
ng of unused cycle sup
p
r
e
ssions
commit
|
commitdiff
|
tree
2015-11-14
Mark A
b
raham
F
i
x wal
l
time measurement with bgc
l
ang
commit
|
commitdiff
|
tree
2015-11-14
Teemu Murtola
Move
n
etwork
.
h to g
m
xlib/
commit
|
commitdiff
|
tree
2015-11-14
Teemu M
u
rto
l
a
Move gmx_ga2la
.
h to domd
e
c/
commit
|
commitdiff
|
tree
2015-11-13
David van der
Spoel
Replaced atom_id by in
t
.
commit
|
commitdiff
|
tree
2015-11-13
Tee
m
u Murtola
Remov
e
t
_
c
om
m
rec de
p
endency from cmdlineinit
.
cpp
commit
|
commitdiff
|
tree
2015-11-13
Teemu Murtola
M
o
ve non
b
onded
.
h to gmxlib/n
o
nbonde
d
/
commit
|
commitdiff
|
tree
2015-11-13
Teemu
Murtola
Let users bu
i
ld withou
t
co
m
pil
e
r war
n
ings
commit
|
commitdiff
|
tree
2015-11-13
Teemu Murtola
Merge types/nsgrid
.
h into nsgr
i
d
.
h
commit
|
commitdiff
|
tree
2015-11-13
Mark
Abraham
Upda
t
e includeso
r
ter
.
p
y
commit
|
commitdiff
|
tree
2015-11-13
Teemu M
u
rtola
Repo
r
t
unused cycle sup
p
ressions
commit
|
commitdiff
|
tree
2015-11-11
David van
der Spo
e
l
Move
d
i
np
u
trec
.
* f
r
om gmx
l
ib
a
nd
leg
a
cyheaders to mdt
y
pes
.
commit
|
commitdiff
|
tree
2015-11-11
Teemu Murtola
Rem
o
ve build s
y
stem for b
o
ost
commit
|
commitdiff
|
tree
2015-11-10
David va
n
der S
p
oel
R
emoved legacyheade
r
s/typedefs
.
h
commit
|
commitdiff
|
tree
2015-11-10
T
eemu Murtola
Remove remaining bo
o
st dep
e
ndencie
s
commit
|
commitdiff
|
tree
2015-11-06
Teemu Murtola
Move force
.
h and
v
site
.
h into mdlib/
commit
|
commitdiff
|
tree
2015-11-05
T
e
e
mu Murtola
Mo
v
e types/rgb
.
h to
f
ileio/
commit
|
commitdiff
|
tree
2015-11-05
Vedran Mil
e
tić
Documen
t
gmx_
r
epl_e
x
struct
commit
|
commitdiff
|
tree
2015-11-05
Mark
A
braham
Handle an
o
t
h
e
r unused
variable
commit
|
commitdiff
|
tree
2015-11-05
Erik Lindahl
Avoid __vec
t
or
c
all with clang for referenc
e
build
commit
|
commitdiff
|
tree
2015-11-04
Teemu Murt
o
l
a
Merge
"
Merg
e
b
ranch release-5-1"
commit
|
commitdiff
|
tree
2015-11-04
Mark
Abraham
Permit mat
r
ix
buil
d
with
RelWit
h
DebInfo set
commit
|
commitdiff
|
tree
2015-11-04
Mark Ab
r
aham
Fix i
c
c 16 issues
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
S
t
op moving fro
m
unique_ptr when copy elision wo
r
ks
commit
|
commitdiff
|
tree
2015-11-03
Te
e
mu Murtola
Update build scripts to match releng refactoring
commit
|
commitdiff
|
tree
2015-11-03
D
avid van der Spoel
Moved df_history utility routines from
t
ypedef
s
to
.
.
.
commit
|
commitdiff
|
tree
2015-11-03
Mark Abrah
a
m
Quiet wa
r
nings with clang-3
.
7
commit
|
commitdiff
|
tree
2015-11-03
Berk Hess
Fix no wallcyc
l
e support
commit
|
commitdiff
|
tree
2015-11-03
James W
.
Ba
r
n
e
tt
Output r
e
plic
a
exchange orde
r
description t
o
debug
commit
|
commitdiff
|
tree
2015-11-02
Berk
H
ess
Fi
x
intermolecular
inter
a
ctions wit
h
smal
l
mols
commit
|
commitdiff
|
tree
2015-11-02
Teemu
Murtola
Replace boost::exc
e
pt
i
on_ptr w
i
th std::exceptio
n
_ptr
commit
|
commitdiff
|
tree
2015-11-02
Erik Lind
a
hl
Enabl
e
64
-
bit
cycle coun
t
ers
o
n ARMV
7
a
commit
|
commitdiff
|
tree
2015-11-02
Sz
i
lar
d
Pall
Fix
signal
ty
p
e
commit
|
commitdiff
|
tree
2015-11-02
Erik Lindahl
S
p
l
i
t SIMD
im
p
l
em
e
n
t
atio
n
s into 4 files
commit
|
commitdiff
|
tree
2015-11-02
Mark Abra
h
a
m
Replace
b
oost::
s
hared_ptr with std::shared_ptr
commit
|
commitdiff
|
tree
2015-11-02
Erik Lindahl
Moved
G
MX_
S
IMD_* macros
fro
m
ifdefs to values 0/1
commit
|
commitdiff
|
tree
2015-11-01
David va
n
de
r
Spoel
Replace
d
NOTSET fro
m
typedefs
.
h b
y
local solutio
n
s
.
commit
|
commitdiff
|
tree
2015-10-28
Mark Abr
a
ham
Us
e
default alignm
e
nt for OpenCL host buffe
r
commit
|
commitdiff
|
tree
2015-10-28
Tee
m
u Murtola
Remove u
n
used TrajectoryAnalysisModule
code
commit
|
commitdiff
|
tree
2015-10-28
M
a
rk Abraha
m
Separate
w
allcycle resp
o
n
sibili
t
ies
commit
|
commitdiff
|
tree
2015-10-25
Tee
m
u Murtola
Fix
m
iss
i
ng
help text for tr
a
jectory a
n
alysis tools
commit
|
commitdiff
|
tree
2015-10-24
Szi
l
ard Pal
l
Avoid using
incompatibl
e
NVML
v
ersi
o
n
commit
|
commitdiff
|
tree
2015-10-23
D
avid v
a
n der Spoel
Removed energyhi
s
tory code f
r
om type
d
e
f
s t
o
a
s
e
parat
e
.
.
.
commit
|
commitdiff
|
tree
2015-10-23
Mark Abraham
Improve
i
m
p
lem
e
ntation of c
y
cle subcounting
commit
|
commitdiff
|
tree
2015-10-23
Erik Li
n
dah
l
Added AlignedAllo
c
ator
class
commit
|
commitdiff
|
tree
2015-10-22
Teemu M
u
r
t
ola
Additio
n
al normaliz
a
tion options
for gmx rdf
commit
|
commitdiff
|
tree
2015-10-22
Szilard Pall
Quiet Fin
d
NVML
commit
|
commitdiff
|
tree
2015-10-22
Teemu
M
urtola
Use include_direct
o
ries(
S
YSTE
M
.
.
.
) consiste
n
tly
commit
|
commitdiff
|
tree
2015-10-22
Er
i
k Lin
d
ahl
Mer
g
e "Merge release-5-0
i
n
t
o
r
elease-5-1
"
into release-5-1
commit
|
commitdiff
|
tree
2015-10-22
Te
e
mu
M
urtola
Clean up an
d
i
m
p
rove fatal
e
r
ror handling
commit
|
commitdiff
|
tree
2015-10-19
Mark A
b
raham
F
ix cycle subc
o
unters
commit
|
commitdiff
|
tree
2015-10-19
Teemu Mu
r
t
o
la
Spl
i
t Enu
m
IntOption from StringOption
commit
|
commitdiff
|
tree
2015-10-18
Justin Lemkul
R
e
m
o
v
e
d dihed
r
als from GLY
.
rtp entry
.
commit
|
commitdiff
|
tree
2015-10-16
Mark Abraham
Add Jenkins opt
i
ons matrix to sourc
e
rep
o
commit
|
commitdiff
|
tree
2015-10-15
Szilárd Páll
C
o
rre
c
t CU
D
A versio
n
comparisons
commit
|
commitdiff
|
tree
2015-10-14
Erik L
i
nda
h
l
Anot
h
er quote fr
o
m Economist today
commit
|
commitdiff
|
tree
2015-10-14
Alf
r
edo Metere
Fi
x
ed segfault in g
e
nconf utility
commit
|
commitdiff
|
tree
2015-10-13
Erik Lindahl
Moved non
b
o
n
ded sources
t
o C++
commit
|
commitdiff
|
tree
2015-10-13
E
r
i
k
L
indahl
Mo
v
ed las
t
nbnxn_k
e
r
n
el sources to C++
commit
|
commitdiff
|
tree
2015-10-13
T
eemu Murtola
Improve documentation
a
nd t
e
sts for r
e
fdata
commit
|
commitdiff
|
tree
2015-10-12
Michael Shir
t
s
Fix for lack
o
f COM
r
emov
a
l
f
o
r md
-
vv
commit
|
commitdiff
|
tree
2015-10-12
James W
.
Barnett
g
mx wham:
Use
macr
o
s
for units and conversions
.
commit
|
commitdiff
|
tree
2015-10-12
Teemu
Murtola
H
i
d
e im
p
lementation details from cm
d
linerunner
.
h
commit
|
commitdiff
|
tree
2015-10-12
Cars
t
en Kutzn
e
r
D
e
scribed the computatio
n
al electrophysiology
.
mdp
.
.
.
commit
|
commitdiff
|
tree
2015-10-12
T
eem
u
Mu
r
tola
I
mprove gm
x
sasa
t
ests an
d
clean up -or
hand
l
i
n
g
commit
|
commitdiff
|
tree
2015-10-11
James W
.
Barnett
User guide:
U
pdate spe
l
ling, add
s
o
m
e
internal refs
commit
|
commitdiff
|
tree
2015-10-11
Teemu Murtola
Rem
o
ve ob
s
olete build sc
r
ipts
commit
|
commitdiff
|
tree
2015-10-09
Mark Abraham
Remove C
G
L
O_RERU
N
MD
commit
|
commitdiff
|
tree
2015-10-08
Teemu Murt
o
la
R
e
mo
v
e
unuse
d
e
r
ror handling code
commit
|
commitdiff
|
tree
2015-10-07
Car
s
ten
Kutzner
Extra options for compu
t
ational electr
o
physiology
.
commit
|
commitdiff
|
tree
2015-10-06
James W
.
Barnett
Update EI_MD to
u
s
e E
I
_RA
N
D
OM
.
Also use E
I
_MD
commit
|
commitdiff
|
tree
2015-10-06
J
a
m
e
s W
.
Barnett
Note
when pcoupl or tcou
p
l are
auto
s
et
t
o
no
commit
|
commitdiff
|
tree
2015-10-05
James W
.
Barne
t
t
Add
m
ore
i
nfo to header
f
or
processed
m
d
p
f
i
les
commit
|
commitdiff
|
tree
2015-10-05
James W
.
B
a
rnett
Rem
o
ve lam
b
da from
p
rint
_
ebin_head
e
r
.
commit
|
commitdiff
|
tree
2015-10-05
James W
.
B
arnett
Temporary fi
l
e tweaks
.
commit
|
commitdiff
|
tree
2015-10-05
Er
i
k Lindahl
Added try/
c
atch s
t
atements
i
n
OpenMP regions and tM
P
I
.
.
.
commit
|
commitdiff
|
tree
2015-10-05
Mark
Abraham
Merge "Merge branc
h
relea
s
e-5-1 into master"
commit
|
commitdiff
|
tree
2015-10-05
Teemu M
u
rt
o
la
Make
u
sing C++ type with sne
w
(
) a com
p
iler error
commit
|
commitdiff
|
tree
2015-10-05
Te
e
mu
M
urto
l
a
Mo
r
e det
a
il
e
d
er
r
or message for m
i
ssing files
commit
|
commitdiff
|
tree
2015-10-03
M
ark Abraham
Fix FindF
F
TW behavio
u
r
commit
|
commitdiff
|
tree
2015-10-03
T
e
e
mu Murt
o
la
Move
reusable co
d
e in
t
o
S
e
l
e
ctionOptionBehavior
commit
|
commitdiff
|
tree
2015-10-03
Teemu Murtola
Add --ref-d
a
ta
update-ch
a
nged
commit
|
commitdiff
|
tree
2015-10-03
Tee
m
u Murtola
Make cmdlinerunn
e
r
.
cp
p
us
e
ICom
m
andLineOptionsModule
commit
|
commitdiff
|
tree
2015-10-03
Mark Abraham
Fix mdrun
-nb au
t
o -rerun with GPU a
n
d
e
n
e
r
g
y
groups
commit
|
commitdiff
|
tree
2015-10-02
Da
v
id van der Spoel
Removed simple
.
h from nb_ker
n
el_sse4_
1
_XX
commit
|
commitdiff
|
tree
next