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Updated cool quotes
2017-05-23
Er
i
k Lindahl
Updat
e
d cool q
u
o
t
es
commit
|
commitdiff
|
tree
2017-05-23
Berk Hess
Add co
n
se
r
ved
qua
n
t
i
ty for Berendse
n
P
-co
u
ple
commit
|
commitdiff
|
tree
2017-05-23
Szilárd Páll
Add basi
c
doxyge
n
fo
r
the Ve
r
let
nonbonde
d
module
commit
|
commitdiff
|
tree
2017-05-23
B
erk Hess
Add conserved q
.
for PR and Berend
s
en T-couple
commit
|
commitdiff
|
tree
2017-05-23
Berk H
e
ss
Make D
D
s
etup obey PME rest
r
ictio
n
s
commit
|
commitdiff
|
tree
2017-05-22
Berk Hess
Introduce Obs
e
rvabl
e
sHisto
r
y
c
ontai
n
e
r
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Fix LY
N
charges in amber03
commit
|
commitdiff
|
tree
2016-09-07
Mark A
b
raham
Fix
a
mbe
r
03
H
IP ch
a
r
g
es
commit
|
commitdiff
|
tree
2015-07-05
Tee
m
u
M
urtol
a
Improve gmx help -e
x
por
t
Sphinx rebui
l
d
be
h
avior
commit
|
commitdiff
|
tree
2014-01-08
Peter
Kasson
Ch
e
ckpointing fi
x
f
o
r
N
ative Client
commit
|
commitdiff
|
tree
2013-12-29
P
e
t
er Kasson
P
atch for Native Client builds
.
commit
|
commitdiff
|
tree
2013-02-28
Peter
K
a
s
son
Declaration-definition
c
onsiste
n
cy nbx
n
_cuda_wait_gpu
.
commit
|
commitdiff
|
tree
2010-08-10
P
e
ter Kasso
n
M
erge
b
r
a
n
ch 'maste
r
' of git@git
.
g
romacs
.
o
r
g
:
gromacs
commit
|
commitdiff
|
tree
2010-07-29
Peter
K
a
sso
n
Merge branch
'
mas
t
er' of
g
it@git
.
gro
m
acs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-07-29
Peter
Kasson
Mer
g
e
branch 'master'
of git@git
.
g
r
o
m
ac
s
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-07-13
P
e
ter K
a
sson
Me
r
ge branch 'master' of gi
t
@git
.
gromacs
.
or
g
:
groma
c
s
commit
|
commitdiff
|
tree
2010-07-07
Pete
r
Kasson
Changed #i
f
de
f
o
p
tion
to allow for
c
ed trr write on
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
Pete
r
Kas
s
on
Merge branch 'm
a
ster' of git@git
.
gromacs
.
o
r
g:
g
romacs
commit
|
commitdiff
|
tree
2010-06-29
Pet
e
r
K
asson
Merge branch 'ma
s
te
r
' of gi
t
@git
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-06-29
Peter Ka
s
so
n
Added a
few commen
t
s
to gmx_memb
e
d
commit
|
commitdiff
|
tree
2010-06-25
Peter Kasson
Merge branch '
m
aster' of
git@git
.
gromacs
.
org
:
groma
c
s
commit
|
commitdiff
|
tree
2010-06-23
Peter
Kasson
make CMake with
G
C
C default to C99
off (gcc 4
.
3 and
.
.
.
commit
|
commitdiff
|
tree
2010-06-20
P
et
e
r
K
a
sson
f
i
xe
d
t
y
po
in previous commit
commit
|
commitdiff
|
tree
2010-06-20
Peter Kasson
Modified s
t
at
.
c trr f
i
le
c
heck for FAHCORE
.
commit
|
commitdiff
|
tree
2010-06-17
kass
o
n
C
hanged HAVE_COPYFILE ch
e
ck to
HAVE_C
O
PYFIL
E
_H
in futil
.
c
commit
|
commitdiff
|
tree
2010-06-17
kasson
Merge branch 'mas
t
er
'
o
f
g
i
t://git
.
gromacs
.
or
g
/grom
a
cs
commit
|
commitdiff
|
tree
2010-06-16
kass
o
n
F
ix
i
ng
#
if statement
.
commit
|
commitdiff
|
tree
2010-06-16
k
asson
A
d
d
ed de
f
ined() to #if macros
commit
|
commitdiff
|
tree
2010-06-16
kasson
Merge branch
'
mymaster'
commit
|
commitdiff
|
tree
2010-06-16
P
eter Kasson
C
h
an
g
ed some SSE
typecasts to
m
acr
o
s; fixi
n
g ICC/Windows
.
.
.
commit
|
commitdiff
|
tree
2010-05-13
P
e
te
r
Ka
s
son
made #defines consis
t
ent
:
FAHCORE
-
> GMX_FAHC
O
RE
commit
|
commitdiff
|
tree
2010-05-11
Peter Kasso
n
A
dded #ifdef
HAVE_SIGU
S
R1 around SIGU
S
R1
r
efs in sighandl
e
r
.
c
commit
|
commitdiff
|
tree
2010-04-17
Peter
K
asson
Merge bran
c
h 'master' of
g
it@git
.
g
romacs
.
org:
g
r
omacs
commit
|
commitdiff
|
tree
2010-04-17
Pet
e
r Kas
s
on
Fix
e
s
for Win
d
ows/ICC-
-
typecasting
commit
|
commitdiff
|
tree
2010-04-12
k
a
sson
F
ixed dumb typos with last
c
ommit; 2 error me
s
s
a
ges
.
.
.
commit
|
commitdiff
|
tree
2010-04-12
k
as
s
on
Fixed typec
a
sts that brok
e
under i
n
te
l
compil
e
r
+
doubl
e
.
.
.
commit
|
commitdiff
|
tree
2010-04-09
kasson
Merge
b
ranc
h
'master' of git:/
/
git
.
g
romacs
.
org/grom
a
cs
commit
|
commitdiff
|
tree
2010-04-09
kasso
n
A
dded line for Dart
commit
|
commitdiff
|
tree
2010-04-04
Peter Kass
o
n
Merge br
a
n
c
h 'master' of git
@
gi
t
.
gr
o
m
acs
.
org
:
g
r
om
a
cs
commit
|
commitdiff
|
tree
2010-04-04
Peter Kasso
n
Merge bra
n
ch
'
master'
of
g
i
t@git
.
gromacs
.
org:grom
a
c
s
commit
|
commitdiff
|
tree
2010-04-04
k
a
sson
Added
u
tilit
y
routine
.
commit
|
commitdiff
|
tree
2010-03-25
Peter K
a
sson
C
hanged div
i
de-by-zero #d
e
fine from
divide
(
)
to
divide_err
.
.
.
commit
|
commitdiff
|
tree
2010-03-15
kasson
One
m
ore
t
ypo
.
commit
|
commitdiff
|
tree
2010-03-15
k
a
sson
Fixed typo
s
i
n
G
B
inner diele
c
t
r
ic commit f
o
r
some
.
.
.
commit
|
commitdiff
|
tree
2010-03-15
kasson
C
h
an
g
ed Generalized Bo
r
n
scaling to us
e
epsilon_r for
.
.
.
commit
|
commitdiff
|
tree
2010-03-12
Peter
K
a
s
son
Fix
e
d C99 -> C syn
t
ax f
o
r m
d
_openmm
.
c
commit
|
commitdiff
|
tree
2010-03-12
Peter Kasson
Reverted duplic
a
te fix
from ff
5
3e7244c832155
f
47269f459ec0ebe
.
.
.
commit
|
commitdiff
|
tree
2010-03-12
Peter
K
asso
n
Minor CMake tw
e
aks and W
i
ndows
m
o
d
if
i
c
ations
.
commit
|
commitdiff
|
tree
2010-03-09
kasson
Pull
e
d CMake option out of if statement to f
i
x infini
t
e
.
.
.
commit
|
commitdiff
|
tree
2010-01-27
k
a
sson
A
dded
fflibutil to CMakeLists
.
t
x
t
commit
|
commitdiff
|
tree
2010-01-26
kasson
Check fo
r
infinite values i
n
LINCS warnin
g
s
.
commit
|
commitdiff
|
tree
2010-01-21
kass
o
n
Suppress warning message in FAHCORE
.
commit
|
commitdiff
|
tree
2009-12-17
Peter
K
a
s
s
o
n
Merge bra
n
ch 'mast
e
r' of git@git
.
g
r
om
a
c
s
.
org:groma
c
s
commit
|
commitdiff
|
tree
2009-12-17
Peter
Kasson
Minor fix for c
h
eck
p
o
i
nting
.
commit
|
commitdiff
|
tree
2009-12-14
Peter Kasson
Merge branch
'
master' of git@gi
t
.
gromac
s
.
o
r
g
:
g
romacs
commit
|
commitdiff
|
tree
2009-12-14
Peter Ka
s
son
C
h
anged SSE typ
e
casts back to
#
defines
for portabilit
y
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
P
e
ter K
a
sson
Merge bran
c
h 'mas
t
er' of
g
it@git
.
gromacs
.
o
r
g:gr
o
mac
s
commit
|
commitdiff
|
tree
2009-12-11
Pe
t
er Kasson
Merge
br
a
nc
h
'master'
of git@g
i
t
.
g
r
om
a
cs
.
org:gromac
s
commit
|
commitdiff
|
tree
2009-12-10
k
a
sson
Adde
d
CM
a
ke
code to enable opti
o
n
o
f building "old
.
.
.
commit
|
commitdiff
|
tree
2009-12-10
kasso
n
Workarounds for md5
.
commit
|
commitdiff
|
tree
2009-12-10
kasson
Ad
d
ed
C
M
ake code
t
o enable
o
p
tio
n
of
b
uilding "old
.
.
.
commit
|
commitdiff
|
tree
2009-12-10
kasson
Fixes for MKL
.
Someone sho
u
ld probably check compatibility
.
.
.
commit
|
commitdiff
|
tree
2009-12-09
kasson
Merge branch '2dpme' of gi
t
.
gromacs
.
org:gromac
s
into
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
kasson
M
e
rge branch
'2dpme' of git
.
gromacs
.
org:gromacs into
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
kasson
Workarounds for md
5
.
commit
|
commitdiff
|
tree
2009-11-11
Peter Kasson
Merge branch 'master' of git@git
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2009-11-11
Peter
Ka
s
son
PK
bugf
i
x for e
d
itconf
commit
|
commitdiff
|
tree
2009-11-11
P
eter Kasson
Merge branch '
m
aster' of git@gi
t
.
gromacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2009-11-11
Peter
K
asson
Added -align and
-aligncen
t
er o
p
tions for
editconf
.
commit
|
commitdiff
|
tree
2009-11-09
Peter Kasso
n
M
erg
e
branch '
m
aster' of git@git
.
g
roma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-11-09
Peter
K
asso
n
Fi
x
to
c
hange sequ
e
nt
i
al numbering in genconf and residue
.
.
.
commit
|
commitdiff
|
tree
2009-11-09
Pete
r
Kasso
n
Residue numbering fun
c
tion
a
lity has c
h
anged
.
Added
.
.
.
commit
|
commitdiff
|
tree
2009-11-08
Pe
t
er Kas
s
on
M
erge branch
'
mast
e
r' of git@git
.
gromacs
.
o
r
g:groma
c
s
commit
|
commitdiff
|
tree
2009-11-08
Peter Kasson
Added co
d
e
to re
s
tor
e
old be
h
avior of gen
c
onf
-
ren
u
mber
.
.
.
commit
|
commitdiff
|
tree
2009-11-05
Peter Kasson
Modified genrestr t
o
allow restra
i
ning only pairs
w
it
h
in
.
.
.
commit
|
commitdiff
|
tree
2009-10-12
kasson
Patc
h
to ens
u
re nonzero XTC in FAH
C
O
R
E
.
commit
|
commitdiff
|
tree
2009-08-31
ka
s
s
on
PK
continui
n
g
m
erge of
t
ools
.
commit
|
commitdiff
|
tree
2009-08-30
kasson
Tool
merge
commit
|
commitdiff
|
tree
2009-08-30
kass
o
n
opti
o
ns for
g_min
d
ist and g_order
commit
|
commitdiff
|
tree
2009-08-19
ka
s
son
PK added -per
m
o
lecule, -radial, and -ob
feature
s
to
.
.
.
commit
|
commitdiff
|
tree
2009-08-11
k
a
sson
PK
inserte
d
che
c
k in m
d
.
c
to c
a
t
c
h NaN values in the
.
.
.
commit
|
commitdiff
|
tree
2009-07-28
Peter Kasson
P
K
-sums option fo
r
g_densmap to print 1D
s
ums
.
commit
|
commitdiff
|
tree
2009-07-28
P
e
ter Kasson
Merge branch 'master' of
g
it@git
.
g
r
omacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2009-07-28
Peter
K
asson
P
K
m
o
dification to allow text output
o
f densi
t
y
m
ap
.
.
.
commit
|
commitdiff
|
tree
2009-07-27
Peter Kasson
PK
added extern C f
o
r
rmpbc and atomprop
commit
|
commitdiff
|
tree
2009-07-27
Peter Kasson
Merge bra
n
c
h
'
m
aster' of git@git
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2009-07-16
Peter Kass
o
n
Merge b
r
a
n
ch 'master
'
of git
@
git
.
grom
a
c
s
.
org:gro
m
ac
s
commit
|
commitdiff
|
tree
2009-07-16
kasson
PK all
i
n
stances of CPLU
S
PLUS #
d
e
f
i
n
e changed to stan
d
ard
.
.
.
commit
|
commitdiff
|
tree
2009-07-16
kasson
P
K in
i
tial
su
p
p
o
rt for
i
d
entity functi
o
n in aut
o
correlation
.
.
.
commit
|
commitdiff
|
tree
2009-07-16
kasso
n
PK confi
g
.
h
.
cmakein patch to se
t
C
P
L
U
SPLUS if using
C
++
commit
|
commitdiff
|
tree
2009-07-16
kasson
PK adde
d
tr
j
conv
opt
i
on
t
o r
o
und time val
u
es
t
o n
e
arest ps
.
commit
|
commitdiff
|
tree
2009-07-16
P
eter Kasso
n
PK added #define CPLUSPL
U
S if __cplusplus defined
commit
|
commitdiff
|
tree
2009-04-22
kas
s
on
PK patched
g
enborn
.
c for t
w
o sets of chan
g
e
s
:
commit
|
commitdiff
|
tree
2009-04-22
kasson
PK fixed error message (acceleration o
p
t
i
on
"
C
"
-
>
.
.
.
commit
|
commitdiff
|
tree
2009-04-19
kasson
PK fixed signal
handl
i
ng/
r
eturn
c
od
e
issue
.
commit
|
commitdiff
|
tree
2009-04-13
k
a
sson
PK reversed
some optimi
z
ation patches t
o
a
l
low compilation
.
.
.
commit
|
commitdiff
|
tree
2009-04-09
kasson
PK one more file from
P
e
r d
i
ffs
commit
|
commitdiff
|
tree
2009-04-09
kasson
PK o
p
t
imization p
a
tches from P
e
r
commit
|
commitdiff
|
tree
2009-04-03
kasson
PK fix to a
l
low alp
h
anumer
i
c residue na
m
es begin
n
i
n
g
.
.
.
commit
|
commitdiff
|
tree
2009-04-02
kasson
PK
c
ommitting patches
f
r
om Per La
r
sson for nb kernels
.
commit
|
commitdiff
|
tree
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