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Split printhardware from detecthardware
2017-08-06
Mark Ab
r
a
h
am
S
plit print
h
ardware
fro
m
det
e
cthardware
commit
|
commitdiff
|
tree
2017-07-27
M
.
Eric Irrgang
Provide STL ma
k
e_
u
nique
t
emplate function
.
commit
|
commitdiff
|
tree
2017-07-24
M
a
rk
A
braham
Separated respo
n
sibilit
y
for consistency che
c
ki
n
g
commit
|
commitdiff
|
tree
2017-07-24
Mark Abraham
R
e
move unnecessary
G
PU checking code
commit
|
commitdiff
|
tree
2017-07-20
Mark Abrah
a
m
Cleaned u
p
bUs
e
G
p
u
in
r
u
nner
commit
|
commitdiff
|
tree
2017-07-20
Peter Kasson
Rew
o
rk
and rename
gmx_
s
e
lect_gp
u
_i
d
s
commit
|
commitdiff
|
tree
2017-07-20
Mark A
b
ra
h
a
m
S
t
o
p
d
upli
c
a
t
e
printing o
f
de
t
ected GPUs
commit
|
commitdiff
|
tree
2017-07-20
M
ark
Abraham
Fix use of GMX_
S
I
M
D in own-
f
ftw b
u
ild
commit
|
commitdiff
|
tree
2017-07-18
Mark Abraham
Converte
d
s
ome c
o
nst
p
oi
n
ters into cons
t
refer
e
nces
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
M
a
r
k Abraham
Eliminated pick_
n
bnxn_resource
s
commit
|
commitdiff
|
tree
2017-07-13
Mark
A
bra
h
am
More up
d
ate
s
to testing matrix
commit
|
commitdiff
|
tree
2017-07-10
Carsten Kutzner
Added mi
s
s
i
n
g
.
mdp file docume
n
tat
i
on
f
o
r
the enforced
.
.
.
commit
|
commitdiff
|
tree
2017-06-09
C
arste
n
Kutzner
Moved es
s
e
ntia
l
dynamics init
i
aliza
t
ion call into do_md()
commit
|
commitdiff
|
tree
2017-06-09
Berk Hess
Replace i
s
o
b
y
instead of
commit
|
commitdiff
|
tree
2017-06-09
Carsten Kutzner
Ad
o
pt
and docu
m
e
nt implementation p
o
licy
for MD modules
commit
|
commitdiff
|
tree
2017-06-08
Berk
H
ess
Fix CO
M
pull force with SD
commit
|
commitdiff
|
tree
2017-06-07
Berk Hess
A
vo
i
d
g
r
o
mpp cha
r
ge warning with ro
u
ndin
g
commit
|
commitdiff
|
tree
2017-06-05
Szilárd Páll
A
d
d
CUDA
8
.
0 + SIMD pre
-
submit test
commit
|
commitdiff
|
tree
2017-06-04
Berk Hes
s
Fix
ch
e
ckpo
i
nt
r
ea
d
ing without energy histo
r
y
commit
|
commitdiff
|
tree
2017-05-30
Ma
r
k Ab
r
aham
Fix NVML er
r
or mes
s
ages
commit
|
commitdiff
|
tree
2017-05-29
Jiri Kraus
Up
d
at
e
Fi
n
dNV
M
L
to f
i
x
#2061
commit
|
commitdiff
|
tree
2017-05-27
Berk
H
ess
Made d
u
p
licate atoms in bondeds an error
commit
|
commitdiff
|
tree
2017-05-23
Erik Lind
a
hl
Updated
c
o
ol quotes
commit
|
commitdiff
|
tree
2017-05-23
Berk Hess
Add
c
o
nserved quantity
f
o
r
B
er
e
ndsen P-coup
l
e
commit
|
commitdiff
|
tree
2017-05-23
Szilárd Páll
Add basic doxygen
f
or the Verlet nonbon
d
ed module
commit
|
commitdiff
|
tree
2017-05-23
Berk Hess
Ad
d
c
o
nserv
e
d q
.
for PR a
n
d Beren
d
sen
T
-couple
commit
|
commitdiff
|
tree
2017-05-23
Berk Hes
s
Make
DD set
u
p
o
bey PM
E
restrictions
commit
|
commitdiff
|
tree
2017-05-22
Berk Hess
Introduce Obs
e
rva
b
lesHistory container
commit
|
commitdiff
|
tree
2016-09-07
Mark A
b
raham
Fix L
Y
N
charges in amb
e
r03
commit
|
commitdiff
|
tree
2016-09-07
M
a
rk Abraham
Fix
a
mber03 HI
P
ch
a
r
ges
commit
|
commitdiff
|
tree
2015-07-05
Teemu Murtola
Im
p
rove gmx help -export Sphinx rebuild
b
ehav
i
or
commit
|
commitdiff
|
tree
2014-01-08
Peter Ka
s
son
Checkpointi
n
g f
i
x fo
r
Native Cli
e
nt
commit
|
commitdiff
|
tree
2013-12-29
Peter Kasso
n
Patch for N
a
tive Clien
t
build
s
.
commit
|
commitdiff
|
tree
2013-02-28
P
eter Kasson
D
e
clarati
o
n-definition cons
i
sten
c
y
n
b
xn_cuda_wait_gpu
.
commit
|
commitdiff
|
tree
2010-08-10
Peter Kasson
M
e
r
ge branch 'master' of git@git
.
g
romacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-07-29
Peter Kasson
Merge
branch 'master' of git@
g
i
t
.
gromacs
.
or
g
:
gromacs
commit
|
commitdiff
|
tree
2010-07-29
Peter Kasson
Merge
b
r
anch 'master' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-07-13
Peter Kass
o
n
Merge b
r
anch 'master' of git@git
.
gro
m
acs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-07-07
P
e
ter Kass
o
n
Ch
a
nged #ifdef optio
n
to allow for
c
ed trr
write
o
n
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
Peter
Kass
o
n
Merge
b
ranc
h
'master'
o
f
git@git
.
g
r
omacs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-06-29
Peter Kasson
Merge
branch
'
m
a
ster' of gi
t
@
g
i
t
.
grom
a
c
s
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-06-29
Pete
r
Kas
s
on
Added a
f
e
w
comments to gmx_membe
d
commit
|
commitdiff
|
tree
2010-06-25
Peter Kasson
Mer
g
e branch 'm
a
ster
'
of git@git
.
g
r
omacs
.
org:g
r
oma
c
s
commit
|
commitdiff
|
tree
2010-06-23
P
eter
K
ass
o
n
make CMake
w
ith GCC default to C99 off (gcc 4
.
3
and
.
.
.
commit
|
commitdiff
|
tree
2010-06-20
Peter Kass
o
n
fix
e
d typo
in
p
revio
u
s commit
commit
|
commitdiff
|
tree
2010-06-20
Pete
r
Kasson
M
odified s
t
at
.
c trr f
i
le
c
heck fo
r
FAHCOR
E
.
commit
|
commitdiff
|
tree
2010-06-17
kas
s
on
Changed
H
AVE_COPYFILE check to HAVE_COPYFILE_H in futil
.
c
commit
|
commitdiff
|
tree
2010-06-17
kasson
Merge bran
c
h 'mast
e
r' of git://git
.
gromacs
.
org/gromacs
commit
|
commitdiff
|
tree
2010-06-16
ka
s
son
Fixing #
i
f
s
tatement
.
commit
|
commitdiff
|
tree
2010-06-16
kass
o
n
Add
e
d
d
efined(
)
to
#
if macr
o
s
commit
|
commitdiff
|
tree
2010-06-16
k
a
sson
Merge
branch 'mymaster'
commit
|
commitdiff
|
tree
2010-06-16
Peter Kasso
n
C
hanged so
m
e
S
S
E
typ
e
casts to macros; fixing IC
C
/Windows
.
.
.
commit
|
commitdiff
|
tree
2010-05-13
Pet
e
r
Kasson
m
ade
#defin
e
s con
s
istent:
FAHCORE -> G
M
X_FAHCORE
commit
|
commitdiff
|
tree
2010-05-11
P
e
ter Kasson
Added
#
ifd
e
f HAVE_SIGUSR1 aro
u
nd SIGUSR1 ref
s
in sighand
l
er
.
c
commit
|
commitdiff
|
tree
2010-04-17
Peter Kasson
Mer
g
e bran
c
h 'master'
o
f git@git
.
gr
o
macs
.
o
r
g:g
r
om
a
cs
commit
|
commitdiff
|
tree
2010-04-17
Peter Kasson
F
i
x
e
s for Window
s
/ICC--typecasting
commit
|
commitdiff
|
tree
2010-04-12
kass
o
n
Fixed dumb t
y
pos
with l
a
s
t
commit; 2 error messages
.
.
.
commit
|
commitdiff
|
tree
2010-04-12
kass
o
n
Fixed t
y
peca
s
ts that broke under inte
l
compiler +
d
ou
b
le
.
.
.
commit
|
commitdiff
|
tree
2010-04-09
kass
o
n
Merge branch 'master' o
f
git://git
.
g
romacs
.
o
rg/gromacs
commit
|
commitdiff
|
tree
2010-04-09
kasson
Added line f
o
r D
a
rt
commit
|
commitdiff
|
tree
2010-04-04
Peter
K
ass
o
n
Me
r
g
e
b
ranch 'm
a
ster' of git@git
.
gro
m
acs
.
o
r
g:gromac
s
commit
|
commitdiff
|
tree
2010-04-04
Peter Kasson
M
e
rge bran
c
h 'master' o
f
gi
t
@git
.
grom
a
cs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-04-04
kas
s
o
n
Added utility routine
.
commit
|
commitdiff
|
tree
2010-03-25
Peter Kasson
C
hanged
divide-by-zero #define from div
i
de()
t
o
divide_err
.
.
.
commit
|
commitdiff
|
tree
2010-03-15
kasson
One more typo
.
commit
|
commitdiff
|
tree
2010-03-15
ka
s
so
n
F
ixed
typos in GB inner dielectric
c
o
mmit for some
.
.
.
commit
|
commitdiff
|
tree
2010-03-15
kasson
Changed
Generali
z
e
d
Born scaling to use epsilon_
r
for
.
.
.
commit
|
commitdiff
|
tree
2010-03-12
Pet
e
r Kasson
F
ixe
d
C99 -> C
syntax for md
_
openmm
.
c
commit
|
commitdiff
|
tree
2010-03-12
Peter
Kasson
Reverted dup
l
ic
a
te
fix from
ff53e7244c832155f47269f459e
c
0ebe
.
.
.
commit
|
commitdiff
|
tree
2010-03-12
P
e
t
er Kas
s
on
Minor CMake tweaks and Wi
n
dows modificati
o
n
s
.
commit
|
commitdiff
|
tree
2010-03-09
kasson
Pulle
d
CMake option
out of
if s
t
at
e
ment to fix infini
t
e
.
.
.
commit
|
commitdiff
|
tree
2010-01-27
k
asson
Added ff
l
ibutil
t
o CMakeLists
.
txt
commit
|
commitdiff
|
tree
2010-01-26
kasson
Check for infinite values in LINCS wa
r
ni
n
gs
.
commit
|
commitdiff
|
tree
2010-01-21
k
a
sson
Suppress
w
a
r
ning mess
a
ge in FAHC
O
RE
.
commit
|
commitdiff
|
tree
2009-12-17
Pete
r
K
asson
Merge
br
a
nch 'maste
r
'
of
g
i
t
@git
.
g
r
o
m
acs
.
o
r
g:gr
o
macs
commit
|
commitdiff
|
tree
2009-12-17
Peter K
a
sson
Minor fix for che
c
kpointing
.
commit
|
commitdiff
|
tree
2009-12-14
Peter Kasso
n
Mer
g
e br
a
nc
h
'
maste
r
'
o
f git@git
.
grom
a
c
s
.
org
:
gromacs
commit
|
commitdiff
|
tree
2009-12-14
Peter Kasson
Chang
e
d S
S
E typecasts back to #defi
n
e
s fo
r
p
o
rtability
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
Peter Kasson
M
e
rge
bran
c
h 'master' of git@git
.
gromac
s
.
o
rg:groma
c
s
commit
|
commitdiff
|
tree
2009-12-11
P
e
ter Kasson
Me
r
ge branc
h
'master'
of
g
it@g
i
t
.
gromacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2009-12-10
k
a
sson
Added C
M
ake
c
ode
t
o enable option of building
"
old
.
.
.
commit
|
commitdiff
|
tree
2009-12-10
k
asson
Workarounds f
o
r md5
.
commit
|
commitdiff
|
tree
2009-12-10
kas
s
on
Added
CMake code to enable
o
p
t
ion
o
f building "old
.
.
.
commit
|
commitdiff
|
tree
2009-12-10
kasson
Fixes for MKL
.
Someone should pr
o
bably check compatibi
l
i
ty
.
.
.
commit
|
commitdiff
|
tree
2009-12-09
kasson
M
e
rge b
r
anch
'2dpme' of git
.
g
r
omac
s
.
org:gromacs into
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
kasso
n
Mer
g
e branch
'2dpme' of git
.
grom
a
cs
.
org:grom
a
cs into
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
kass
o
n
W
o
rkar
o
u
n
ds for md
5
.
commit
|
commitdiff
|
tree
2009-11-11
Peter Kasso
n
M
erge bran
c
h 'm
a
ster
'
o
f g
i
t
@gi
t
.
gro
m
acs
.
o
r
g:
g
ro
m
acs
commit
|
commitdiff
|
tree
2009-11-11
Peter
Kasson
PK
bugfix for editconf
commit
|
commitdiff
|
tree
2009-11-11
P
e
te
r
Kasson
Merg
e
b
r
a
n
ch
'master
'
of git@git
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2009-11-11
Pet
e
r Kass
o
n
Ad
d
ed -al
i
gn and -a
l
igncenter options for editc
o
nf
.
commit
|
commitdiff
|
tree
2009-11-09
Peter Kasson
Merge branch 'master' of
git@git
.
gromacs
.
org:
g
romac
s
commit
|
commitdiff
|
tree
2009-11-09
Peter Kasson
Fi
x
to cha
n
ge sequential numbe
r
ing in
g
enconf
and
r
e
s
idue
.
.
.
commit
|
commitdiff
|
tree
2009-11-09
Peter Kass
o
n
Resi
d
ue numbering
functionality has c
h
anged
.
Added
.
.
.
commit
|
commitdiff
|
tree
2009-11-08
P
e
ter Kasson
Merge
branch 'master' of
g
it@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-11-08
Peter
Kasson
Ad
d
ed cod
e
to restore old behavior of genconf -ren
u
mbe
r
.
.
.
commit
|
commitdiff
|
tree
2009-11-05
P
ete
r
Kas
s
on
Modified genres
t
r to allow restraining only
p
ai
r
s within
.
.
.
commit
|
commitdiff
|
tree
2009-10-12
kass
o
n
Patch
t
o ens
u
re non
z
ero XTC in FAHCORE
.
commit
|
commitdiff
|
tree
2009-08-31
kasson
PK
c
onti
n
uing me
r
g
e of tool
s
.
commit
|
commitdiff
|
tree
2009-08-30
kasson
Too
l
merge
commit
|
commitdiff
|
tree
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