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Merge branch release-5-1
2015-07-26
Erik Li
n
d
ahl
Merge
b
r
a
nch
r
elease-
5
-1
commit
|
commitdiff
|
tree
2015-07-07
Eri
k
Linda
h
l
Move QMM
M
s
ource to C++
commit
|
commitdiff
|
tree
2015-06-27
E
r
ik Lindah
l
Fix s
i
ngle-prec
.
softcore issue in 4
.
6 branch
commit
|
commitdiff
|
tree
2015-02-20
Erik Linda
h
l
Famou
s
quo
t
e
from Coll
e
e
n
M
c
Cu
l
l
o
ugh
commit
|
commitdiff
|
tree
2015-02-20
Erik Lin
d
ahl
Ad
d
ed t
w
o pop-cu
l
ture quotes f
r
om Andy Warhol
.
commit
|
commitdiff
|
tree
2014-09-20
Eri
k
L
i
nda
h
l
F
ix RelWit
h
DebInfo na
m
e bug
s
,
and use full op
t
i
m
ization
.
commit
|
commitdiff
|
tree
2014-09-02
Er
i
k Linda
h
l
Fi
x
ed string
v
ar ex
p
a
nsion in CMake due
t
o C
M
P
0053
commit
|
commitdiff
|
tree
2014-08-10
Erik Lin
d
ahl
Make internal BLAS/LAPACK messages less noisy
commit
|
commitdiff
|
tree
2014-07-28
R
oland Schulz
Add unit
t
est for rand
o
m
/
Threefry
commit
|
commitdiff
|
tree
2014-07-27
Erik Li
n
dahl
Fix select
i
on of xtc
g
roups not s
t
arting at
index 0
commit
|
commitdiff
|
tree
2014-07-11
E
rik
Lindahl
Mak
e
AVX2
c
heck more robust
commit
|
commitdiff
|
tree
2014-06-24
Erik Lindahl
Fixed
recent
bug with d
i
sp
.
corr
.
and vdwtype=shift
commit
|
commitdiff
|
tree
2014-06-23
Erik Lindahl
Enable terminus-sp
e
cific a
t
om translation
commit
|
commitdiff
|
tree
2014-06-22
E
rik Lindahl
Make
l
og
file option
l
i
sting similar to mdp nam
e
s
commit
|
commitdiff
|
tree
2014-06-21
Erik
L
indahl
Ma
k
e sure masses are
c
o
pied from
termini databases
commit
|
commitdiff
|
tree
2014-03-31
Teemu
M
u
rtola
Move some math he
a
d
e
rs awa
y
from legacyheaders/
commit
|
commitdiff
|
tree
2014-03-16
Erik
L
indahl
Use a
constant instead of si
z
eof
(
int) f
o
r
S
S
E2 imme
d
ia
t
e
.
.
.
commit
|
commitdiff
|
tree
2014-02-01
Erik Lindahl
Use
p
seudo-random i
n
stead of ran
d
om st
r
eams
to intialize
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Roland Schul
z
R
emove
u
nnecessary
I
CC flags affecting per
f
ormance
commit
|
commitdiff
|
tree
2013-01-10
Erik Lindahl
Fixes SSE/AVX
compilation under Windows
commit
|
commitdiff
|
tree
2013-01-09
Erik Lindahl
Added work-
a
round for gcc bu
g
in AVX intrinsincs formal
.
.
.
commit
|
commitdiff
|
tree
2012-12-30
Erik
L
indahl
Fixed
G
M
XRC so we are not pol
l
uting standar
d
s
he
l
l
.
.
.
commit
|
commitdiff
|
tree
2012-12-27
E
r
i
k
L
indah
l
Fixed e
r
r
o
r message for zw
i
tterion res
i
dues
commit
|
commitdiff
|
tree
2012-12-20
Erik L
i
nd
a
hl
Fixed AVX25
6
double-p
r
ecision kernels for gcc
commit
|
commitdiff
|
tree
2012-11-22
Erik Lindah
l
F
i
x
fo
r
icc 13 optimization-related issue and TIP4P
.
.
.
commit
|
commitdiff
|
tree
2012-11-22
Erik Lindah
l
Imple
m
ented RMS-based force tolerance in gmxcheck
commit
|
commitdiff
|
tree
2012-11-22
Erik Lindahl
Fix
e
d
LJ-14 e
r
ror
in free energy
commit
|
commitdiff
|
tree
2012-11-09
Erik
L
indahl
R
emoved old
(
n
o
w
unused) blueg
e
ne kernels
.
commit
|
commitdiff
|
tree
2012-11-09
E
r
ik L
i
nda
h
l
Removed unused old kernel generator
commit
|
commitdiff
|
tree
2012-11-09
Erik Lind
a
h
l
Removal of stale Fortran
/
Power6 kernels
commit
|
commitdiff
|
tree
2012-11-09
Erik Lindahl
Remo
v
al
o
f s
t
ale For
t
ran kern
e
ls
commit
|
commitdiff
|
tree
2012-11-08
Erik Lindahl
Fixe
d
bu
g
in t
h
e new switch-
m
odified interactions in
.
.
.
commit
|
commitdiff
|
tree
2012-11-08
Erik L
i
ndahl
Allow r
c
oul
o
m
b
=rlistlon
g
for
P
M
E
with
n
s
tcalcl
r
=1
commit
|
commitdiff
|
tree
2012-06-21
Erik L
i
ndahl
F
i
xed gc
c
inl
i
ne
a
s
sembl
y
i
ssue with PIC and olde
r
.
.
.
commit
|
commitdiff
|
tree
2012-06-16
Erik Lindahl
New CPU de
t
ecti
o
n & AV
X
/SSE code,
r
emoved
r
aw assembly
.
.
.
commit
|
commitdiff
|
tree
2011-09-13
E
r
ik Lindahl
Introduced di
f
ferent opti
o
ns for
p
d
b2gmx termin
i
int
r
oduct
i
o
.
.
.
commit
|
commitdiff
|
tree
2011-09-13
Erik Lindahl
Fixe
d
in
c
orrection Ambe
r
G
S
force
f
iel
d
(redmine
#
72
8
)
commit
|
commitdiff
|
tree