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Fixed typos in output.
2015-11-30
Magnu
s
Lundbor
g
Fixe
d
typ
o
s in output
.
commit
|
commitdiff
|
tree
2015-11-30
Erik Li
n
dahl
C++ cl
a
s
ses for cpuid
a
nd hardware topology
commit
|
commitdiff
|
tree
2015-11-30
Teemu M
u
rtola
Cl
e
a
n
up some selectio
n
co
d
e
commit
|
commitdiff
|
tree
2015-11-23
Teemu
M
urtola
Move p
r
e
cisi
o
n dete
c
tion sym
b
ols
to baseversion
.
*
commit
|
commitdiff
|
tree
2015-11-22
Mark Abra
h
am
F
i
x ge
n
eric group-schem
e
kerne
l
table derefe
r
encing
commit
|
commitdiff
|
tree
2015-11-21
David van der Spoel
Me
r
ged genborn
.
h
from le
g
acyheaders/ty
p
es
i
nto
mdlib
.
.
.
commit
|
commitdiff
|
tree
2015-11-20
Mar
k
Abraham
Remove ewcWAIT_
G
PU_NB_L_EST
commit
|
commitdiff
|
tree
2015-11-20
Da
v
id van de
r
Spoel
Moved legacy
h
eaders/typ
e
s/energy
.
h
to mdtypes
.
commit
|
commitdiff
|
tree
2015-11-19
Mark
A
b
raham
Simp
l
ified init
a
nd mdrun code
commit
|
commitdiff
|
tree
2015-11-16
M
a
rk Abraham
Fix us
e
of #if vs #if
d
ef
commit
|
commitdiff
|
tree
2015-11-16
Mark A
b
raham
Fix AlignedAllocator with
M
S
VC201
5
debug
m
ode
commit
|
commitdiff
|
tree
2015-11-16
E
rik Lindahl
Remove unus
e
d
code det
e
c
te
d
by
P
GI com
p
ile
r
commit
|
commitdiff
|
tree
2015-11-16
Mar
k
Abraham
Remove "
s
upport" for twin-range
w
i
th VV integrators
commit
|
commitdiff
|
tree
2015-11-15
Teemu
Murtola
Add EnumOption wi
t
h support for pro
p
er enum types
commit
|
commitdiff
|
tree
2015-11-15
David van der S
p
oel
Merged
l
egacyheaders/types/inputrec
.
h into md
t
ype
s
.
.
.
commit
|
commitdiff
|
tree
2015-11-15
Teemu Murto
l
a
Fi
x
reporti
n
g of unused cycle
s
up
p
ressions
commit
|
commitdiff
|
tree
2015-11-14
Mark Abraham
Fix
w
al
l
t
ime measur
e
ment with
bgclang
commit
|
commitdiff
|
tree
2015-11-14
T
eemu Mu
r
t
ola
Move network
.
h to gmxlib/
commit
|
commitdiff
|
tree
2015-11-14
T
e
emu Murtola
Move gmx_
g
a2l
a
.
h to dom
d
ec/
commit
|
commitdiff
|
tree
2015-11-13
David van der Spoel
Re
p
lace
d
atom_i
d
by int
.
commit
|
commitdiff
|
tree
2015-11-13
Teemu Murtola
R
emo
v
e t_commrec dependency
from cmdlineinit
.
cpp
commit
|
commitdiff
|
tree
2015-11-13
Teemu Murtola
Mov
e
nonbon
d
ed
.
h to g
m
xlib/nonbonded/
commit
|
commitdiff
|
tree
2015-11-13
Teemu
M
urtola
L
e
t users build w
i
thout compiler w
a
rni
n
gs
commit
|
commitdiff
|
tree
2015-11-13
Te
e
mu Murto
l
a
Merge types/nsgrid
.
h
i
nto n
s
gri
d
.
h
commit
|
commitdiff
|
tree
2015-11-13
Mark Abra
h
am
Update includesorter
.
py
commit
|
commitdiff
|
tree
2015-11-13
T
e
emu
M
u
r
t
ola
Report
unused cycle su
p
pressions
commit
|
commitdiff
|
tree
2015-11-11
David van
d
er Spoe
l
M
o
ved inp
u
trec
.
* fr
o
m
g
m
xl
i
b and legacyhead
e
rs
t
o m
d
types
.
commit
|
commitdiff
|
tree
2015-11-11
Teemu Murtola
R
e
move
b
uild syst
e
m f
o
r boost
commit
|
commitdiff
|
tree
2015-11-10
David v
a
n der
S
p
o
e
l
Removed legacy
h
eaders/typedefs
.
h
commit
|
commitdiff
|
tree
2015-11-10
Tee
m
u Murtola
Remove remaining
boost dep
e
ndenci
e
s
commit
|
commitdiff
|
tree
2015-11-06
Teemu Murtola
M
o
ve f
o
rce
.
h and vsite
.
h
i
nto mdlib/
commit
|
commitdiff
|
tree
2015-11-05
Teemu M
u
r
tola
Move types/rgb
.
h
to fileio/
commit
|
commitdiff
|
tree
2015-11-05
Ved
r
an Miletić
Document gmx_repl_ex struct
commit
|
commitdiff
|
tree
2015-11-05
Mark Abr
a
ham
Handle another unused variable
commit
|
commitdiff
|
tree
2015-11-05
E
r
ik Lindahl
Avoid __ve
c
torcall with
cla
n
g for reference b
u
i
l
d
commit
|
commitdiff
|
tree
2015-11-04
T
e
emu Murto
l
a
Merge "
M
er
g
e
branch
r
eleas
e
-5-1"
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
P
ermit ma
t
r
i
x
build wi
t
h
RelWit
h
DebInfo set
commit
|
commitdiff
|
tree
2015-11-04
M
ark Abraham
F
i
x
ic
c
16
i
ssues
commit
|
commitdiff
|
tree
2015-11-04
M
a
r
k
A
b
r
aha
m
Stop mo
v
ing from u
n
i
q
ue_ptr when copy
e
lision works
commit
|
commitdiff
|
tree
2015-11-03
Teemu
Murtola
Update build scrip
t
s to match r
e
leng
r
efactoring
commit
|
commitdiff
|
tree
2015-11-03
David van der Spoel
Moved df_hi
s
tory utility ro
u
tines from t
y
pedefs to
.
.
.
commit
|
commitdiff
|
tree
2015-11-03
Mark Abraham
Qui
e
t warnings with clang-3
.
7
commit
|
commitdiff
|
tree
2015-11-03
Be
r
k Hes
s
Fix no wallcy
c
le support
commit
|
commitdiff
|
tree
2015-11-03
J
a
m
es W
.
Barnett
Output replica e
x
ch
a
nge
o
rd
e
r
des
c
ription
to debug
commit
|
commitdiff
|
tree
2015-11-02
Berk Hess
F
ix in
t
ermolecular
i
nteract
i
on
s
with small
m
ol
s
commit
|
commitdiff
|
tree
2015-11-02
Teemu
M
urtola
Rep
l
a
ce
b
oost::exception_pt
r
with
s
t
d::exception_ptr
commit
|
commitdiff
|
tree
2015-11-02
Erik Lindahl
E
nabl
e
64-bit cycl
e
counters on A
R
M
V
7a
commit
|
commitdiff
|
tree
2015-11-02
Szilar
d
Pa
l
l
Fix sig
n
al type
commit
|
commitdiff
|
tree
2015-11-02
E
r
ik Li
n
dah
l
Split SIM
D
imp
l
ementati
o
ns into 4
files
commit
|
commitdiff
|
tree
2015-11-02
Mark Abraham
R
epla
c
e boost
:
:share
d
_ptr w
i
th
s
t
d::shared_
p
t
r
commit
|
commitdiff
|
tree
2015-11-02
Erik Lindah
l
Mov
e
d GMX_SIMD_* macros fr
o
m ifdefs to values 0/1
commit
|
commitdiff
|
tree
2015-11-01
David van der Sp
o
el
Replac
e
d NOT
S
ET f
r
om typedef
s
.
h
b
y local
s
olutions
.
commit
|
commitdiff
|
tree
2015-10-28
M
a
rk Abraham
Use d
e
faul
t
alignmen
t
for O
p
e
nCL host buffer
commit
|
commitdiff
|
tree
2015-10-28
T
e
emu
Murtola
Remove unused TrajectoryAn
a
l
y
s
i
sModu
l
e code
commit
|
commitdiff
|
tree
2015-10-28
Mark
A
braham
Separate wallcy
c
l
e
r
esponsibilities
commit
|
commitdiff
|
tree
2015-10-25
Teemu Murto
l
a
Fix missi
n
g help text for trajectory analysis t
o
o
ls
commit
|
commitdiff
|
tree
2015-10-24
S
z
i
l
ard Pall
Avoid using incompatible NVML
v
ersi
o
n
commit
|
commitdiff
|
tree
2015-10-23
Da
v
i
d van d
e
r Sp
o
el
Remo
v
ed
e
ner
g
yhistory code f
r
om typedefs to a se
p
arate
.
.
.
commit
|
commitdiff
|
tree
2015-10-23
Mark Abraham
Imp
r
ove imple
m
ent
a
t
i
on of
cy
c
le
s
u
b
counti
n
g
commit
|
commitdiff
|
tree
2015-10-23
Eri
k
Lindahl
A
d
ded Align
e
dAllocator class
commit
|
commitdiff
|
tree
2015-10-22
Teemu Murtola
A
d
dit
i
o
n
al no
r
malization options for gmx rdf
commit
|
commitdiff
|
tree
2015-10-22
Szilard P
a
ll
Quiet FindNVML
commit
|
commitdiff
|
tree
2015-10-22
Teem
u
Murtola
U
s
e include_directories(SYSTEM
.
.
.
) consiste
n
tly
commit
|
commitdiff
|
tree
2015-10-22
E
r
i
k
Lindahl
Merge "Merg
e
r
e
lease-5-0 into r
e
le
a
se
-
5
-
1
" into release-5-1
commit
|
commitdiff
|
tree
2015-10-22
Teemu Murtola
Cle
a
n
u
p and improve fatal error handlin
g
commit
|
commitdiff
|
tree
2015-10-19
Ma
r
k Abraham
Fix
c
ycle subcou
n
ters
commit
|
commitdiff
|
tree
2015-10-19
Teemu
M
urtola
Split EnumIntOption fro
m
StringOp
t
ion
commit
|
commitdiff
|
tree
2015-10-18
J
usti
n
L
emkul
Removed
di
h
edrals f
r
om GL
Y
.
rtp entry
.
commit
|
commitdiff
|
tree
2015-10-16
M
a
rk
A
braha
m
Add
J
enkins options matrix
t
o source repo
commit
|
commitdiff
|
tree
2015-10-15
Szi
l
á
r
d
Pá
l
l
Co
r
rect C
U
DA ver
s
ion comparisons
commit
|
commitdiff
|
tree
2015-10-14
Erik Lindahl
Another quote from Economist today
commit
|
commitdiff
|
tree
2015-10-14
Alf
r
edo Me
t
ere
Fixed segf
a
ult in
g
e
n
conf utilit
y
commit
|
commitdiff
|
tree
2015-10-13
Erik Lind
a
hl
Moved no
n
bonded source
s
to C++
commit
|
commitdiff
|
tree
2015-10-13
Erik Lindahl
Moved l
a
st nbnxn_k
e
rnel sour
c
es to C++
commit
|
commitdiff
|
tree
2015-10-13
Teemu
Murtol
a
I
m
p
r
ove documentation and
te
s
t
s
for re
f
data
commit
|
commitdiff
|
tree
2015-10-12
Michael Sh
i
rts
Fix for la
c
k of CO
M
removal for md-vv
commit
|
commitdiff
|
tree
2015-10-12
James
W
.
Ba
r
nett
gmx wham: Use
macros f
o
r units a
n
d conversions
.
commit
|
commitdiff
|
tree
2015-10-12
Te
e
m
u
M
urtola
Hid
e
imp
l
e
m
entation details from c
m
dl
i
ner
u
nner
.
h
commit
|
commitdiff
|
tree
2015-10-12
C
arsten
K
utzner
Describe
d
t
he com
p
utational
el
e
ctr
o
ph
y
siolog
y
.
mdp
.
.
.
commit
|
commitdiff
|
tree
2015-10-12
T
eemu Murtol
a
Improv
e
gmx
sasa
t
ests and clean up -or
handling
commit
|
commitdiff
|
tree
2015-10-11
J
ames
W
.
Barnett
User guide: Update spelling,
add some internal
r
ef
s
commit
|
commitdiff
|
tree
2015-10-11
Teemu Murtola
Remov
e
obsolete b
u
ild scripts
commit
|
commitdiff
|
tree
2015-10-09
Mark A
b
r
ah
a
m
Remove CGL
O
_RERUNMD
commit
|
commitdiff
|
tree
2015-10-08
Teemu Murtola
Rem
o
ve u
n
used error handli
n
g c
o
d
e
commit
|
commitdiff
|
tree
2015-10-07
C
arsten Kutzner
Ex
t
ra options for computatio
n
al e
l
ectro
p
hys
i
ology
.
commit
|
commitdiff
|
tree
2015-10-06
J
ame
s
W
.
Barnett
Update E
I
_MD to use EI_RANDOM
.
Als
o
use
EI_M
D
commit
|
commitdiff
|
tree
2015-10-06
J
ames W
.
Barnet
t
No
t
e when
pcou
p
l
o
r
t
cou
p
l are auto
s
e
t to no
commit
|
commitdiff
|
tree
2015-10-05
James W
.
Barnet
t
Add more in
f
o to header for pro
c
essed mdp files
commit
|
commitdiff
|
tree
2015-10-05
J
a
mes W
.
Barnett
Remove lambd
a
from print_ebin_
h
ead
e
r
.
commit
|
commitdiff
|
tree
2015-10-05
James W
.
Barn
e
tt
Temporary fi
l
e
tweaks
.
commit
|
commitdiff
|
tree
2015-10-05
Er
i
k
Linda
h
l
Adde
d
try/catch statements i
n
OpenMP re
g
ions and
tMPI
.
.
.
commit
|
commitdiff
|
tree
2015-10-05
Mark Ab
r
a
h
am
Merge "Merge
b
r
a
n
ch
r
elea
s
e-5-1 in
t
o master"
commit
|
commitdiff
|
tree
2015-10-05
Te
e
mu M
u
r
t
o
la
Make u
s
ing C+
+
ty
p
e
with snew() a
compiler error
commit
|
commitdiff
|
tree
2015-10-05
T
eemu Mu
r
tola
Mor
e
det
a
i
led error mes
s
age fo
r
miss
i
ng files
commit
|
commitdiff
|
tree
2015-10-03
Mark Abraham
F
ix Fin
d
FFTW beh
a
viour
commit
|
commitdiff
|
tree
2015-10-03
T
e
emu Murtola
M
o
ve re
u
sable
c
ode into Selectio
n
OptionBehavior
commit
|
commitdiff
|
tree
2015-10-03
Teemu M
u
rt
o
la
Add --ref-
d
ata update-changed
commit
|
commitdiff
|
tree
2015-10-03
Tee
m
u Murtola
Make cmdlinerunne
r
.
cpp
u
se ICommandLine
O
ptio
n
sModule
commit
|
commitdiff
|
tree
2015-10-03
Mark
A
braha
m
Fix mdru
n
-nb au
t
o -reru
n
with GPU an
d
energy groups
commit
|
commitdiff
|
tree
2015-10-02
Davi
d
v
a
n der Spoel
Removed si
m
ple
.
h from nb_kernel_sse4_1_XX
commit
|
commitdiff
|
tree
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