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Add more const correctness
2016-03-19
Mar
k
A
b
raham
Add more c
o
n
s
t
c
or
r
ectness
commit
|
commitdiff
|
tree
2016-03-19
Mark
A
braham
Fix war
n
ing fr
o
m GCC 6
commit
|
commitdiff
|
tree
2016-03-19
M
ark Abra
h
am
Improved some mdrun integra
t
ion tests
commit
|
commitdiff
|
tree
2016-03-12
Mark Abraham
U
pda
t
e use of isnan
i
n li
n
earalgebra
commit
|
commitdiff
|
tree
2016-03-12
M
ar
k
Abraham
Fin
d
hwloc qu
i
etly if it's already been found
commit
|
commitdiff
|
tree
2016-03-11
M
a
rk Abraham
Add
infrastructure for tests to
c
o
mpare md
r
u
ns
commit
|
commitdiff
|
tree
2016-03-10
M
a
rk Abraham
Require 2015
v
ersion for MSVC
commit
|
commitdiff
|
tree
2016-03-05
Mark Abraham
Add SE
T
TLE u
n
i
t tests
commit
|
commitdiff
|
tree
2016-02-26
Ma
r
k Abraham
Separa
t
ed test o
f
CDATA end tag
h
andling f
r
om
o
th
e
rs
commit
|
commitdiff
|
tree
2016-02-23
M
a
rk Abraham
Repl
a
ce cpp
c
heck suppression in checkpoint code
commit
|
commitdiff
|
tree
2016-02-22
Mark Abraham
Move init of speciali
z
ed dynam
i
cal
a
lgor
i
thms to do_md
commit
|
commitdiff
|
tree
2016-02-21
M
a
rk Abraham
Se
p
arate table construction
commit
|
commitdiff
|
tree
2016-02-19
M
ark
Abraham
M
e
rge branch rel
e
ase
-
5-1
commit
|
commitdiff
|
tree
2016-02-19
Mark Abraham
Mak
e
both
ftp
and
ht
t
p
links for source download
commit
|
commitdiff
|
tree
2016-02-18
Mark Abraham
U
p
dated reference manual text about PME tuning
commit
|
commitdiff
|
tree
2016-02-16
Mark Abr
a
ham
M
e
rge
bran
c
h release-5-0 into re
l
ease-5-1
commit
|
commitdiff
|
tree
2016-02-14
Ma
r
k Abraham
Re-generated eps for
f
igure 4
.
8
commit
|
commitdiff
|
tree
2016-02-10
Mar
k
Abraham
R
e-remov
e
*
_
sto
c
hd_
s
tate
func
t
ion declara
t
ions
commit
|
commitdiff
|
tree
2016-02-10
Mark Abraham
Im
p
r
o
ved update_coords ha
n
dling of x
p
rime
commit
|
commitdiff
|
tree
2016-02-10
Mark Abraham
Fix i
s
s
ues to update cpp
c
h
e
ck support to 1
.
72
commit
|
commitdiff
|
tree
2016-02-08
M
a
r
k Abraham
M
erge
b
ranch release-5-
0
into release
-
5-1
commit
|
commitdiff
|
tree
2016-02-06
Mark Abraham
Merge br
a
nch release-5-1
commit
|
commitdiff
|
tree
2016-02-03
Mark Abra
h
am
Bump
e
d pat
c
h
numb
e
r to prepare f
o
r
f
utur
e
5
.
1
.
3 release
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
Version
5
.
1
.
2
commit
|
commitdiff
|
tree
2016-02-03
Mark Abr
a
ham
Fix grompp not
w
a
rning when
.
m
d
p values hav
e
wrong
.
.
.
commit
|
commitdiff
|
tree
2016-02-03
Mark Abrah
a
m
Merge relea
s
e-5-
0
i
n
to release
-
5-1
commit
|
commitdiff
|
tree
2016-02-03
M
ark Abraham
Fix dE
k
in/dl ha
n
dling w
i
th multiple r
a
nks
commit
|
commitdiff
|
tree
2016-01-28
Mark Abraham
Me
r
ge branch r
e
lease-5-
1
commit
|
commitdiff
|
tree
2016-01-28
Mar
k
Abraham
Fix use of __
A
PPLE
_
_ in OpenCL code
commit
|
commitdiff
|
tree
2016-01-28
Mar
k
A
braham
A
d
d OpenCL sou
r
ce file types to copyright chec
k
er
commit
|
commitdiff
|
tree
2016-01-28
Mar
k
Abraham
Avoid FP e
x
c
e
ption
commit
|
commitdiff
|
tree
2016-01-27
Mark Abraham
M
erge branch release-5-1
commit
|
commitdiff
|
tree
2016-01-27
Mark Abraham
R
em
o
ve
bNotLa
s
tFrame
commit
|
commitdiff
|
tree
2016-01-27
Mark A
b
raham
Add suggestions for updat
i
ng binutils
commit
|
commitdiff
|
tree
2016-01-26
Ma
r
k
A
braham
Fix
d
e
f
ault for GMX_USE_NVML
commit
|
commitdiff
|
tree
2016-01-25
Mark Abraha
m
Merge branch release-5-
1
commit
|
commitdiff
|
tree
2016-01-24
M
ark Abraham
F
ix duplicate LaTeX equati
o
n
l
abel
commit
|
commitdiff
|
tree
2016-01-24
Mar
k
Abraha
m
U
pdate reference
s
to HTML and
o
nline documenta
t
io
n
commit
|
commitdiff
|
tree
2016-01-14
M
ark Ab
r
a
ham
P
ermit customized testin
g
of grom
p
p
and mdrun
commit
|
commitdiff
|
tree
2016-01-13
Mark Abraham
Allowed
N
VML support to be tog
g
led
commit
|
commitdiff
|
tree
2016-01-12
Mark Abraham
Mer
g
e branch release-5-0
i
nto release-
5
-
1
commit
|
commitdiff
|
tree
2016-01-11
Mark Abrah
a
m
Imp
r
oved update_coo
r
ds
commit
|
commitdiff
|
tree
2016-01-08
Mark Abraham
Improve tpr he
a
der version
ha
n
d
l
ing
commit
|
commitdiff
|
tree
2016-01-08
Mark A
b
raham
Merge b
r
a
n
ch relea
s
e
-
5-
1
commit
|
commitdiff
|
tree
2016-01-07
Mar
k
Abraham
Fix some md
r
u
n
heade
r
dependencie
s
commit
|
commitdiff
|
tree
2016-01-07
M
a
r
k
Abraham
Avoi
d
more C++ bindings for M
P
I
commit
|
commitdiff
|
tree
2016-01-07
Mark Abr
a
ham
Documen
t
how pote
n
tial-switch work
s
commit
|
commitdiff
|
tree
2016-01-07
M
ark Abra
h
am
Stop using
U
NDEFI
N
ED
as
n
ame of a symbol
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraha
m
Remove f
i
el
d
s used on
l
y for S
D
2
commit
|
commitdiff
|
tree
2016-01-07
Mark
A
braham
Backp
o
rt
md-v
v
fixes
commit
|
commitdiff
|
tree
2016-01-07
M
ark Ab
r
a
ham
Remove SD2 integrator
commit
|
commitdiff
|
tree
2016-01-06
Mark A
b
raham
Fi
x
spurious gcc warning
commit
|
commitdiff
|
tree
2016-01-05
Mark Abrah
a
m
Fix logic
for
D
D missing-interactions check
commit
|
commitdiff
|
tree
2016-01-05
Mark Abrah
a
m
U
se EXPECT_TRUE
a
n
d EXPECT_FAL
S
E in
n
ew SIMD test
s
commit
|
commitdiff
|
tree
2016-01-04
Mark Abraham
Change GMX_DO
U
BLE to be alw
a
ys
d
efined
commit
|
commitdiff
|
tree
2015-12-28
Mark A
b
raham
C
reate inv
e
r
tm
a
trix
.
h
commit
|
commitdiff
|
tree
2015-12-28
Mark A
b
raham
Me
r
ge branc
h
rele
a
s
e
-5-1
commit
|
commitdiff
|
tree
2015-12-27
Mark Abraham
Fix
some OpenCL issues
commit
|
commitdiff
|
tree
2015-12-24
M
a
r
k
A
braham
Moved re
s
ponsibil
i
t
y for f_glob
a
l
commit
|
commitdiff
|
tree
2015-12-24
Mark Abraham
Shell co
d
e cle
a
nup
commit
|
commitdiff
|
tree
2015-12-17
M
a
rk Abraham
Simpli
f
ied ene
r
gy-summation
c
o
d
e
commit
|
commitdiff
|
tree
2015-12-12
M
ark Abraham
Br
o
ke
up
c
op
y
r
ig
h
t
.
*
commit
|
commitdiff
|
tree
2015-12-12
Mark
A
bra
h
am
Requir
e
N
o
se-Hoover with MTTK
commit
|
commitdiff
|
tree
2015-12-11
Mark
Abraha
m
Stop glo
b
al communic
a
tion depending on integrator
commit
|
commitdiff
|
tree
2015-12-10
Mark Abraham
Merge bran
c
h 'o
r
igin/
r
elea
s
e-5-1'
commit
|
commitdiff
|
tree
2015-12-09
Mark
Abraham
Up
d
at
e
use of preprocessor in
m
a
n
a
g
ing
GPU
suppor
t
commit
|
commitdiff
|
tree
2015-12-08
M
a
rk Abraham
Merg
e
branch 're
l
ease-5-0' into r
e
lease-5-1
commit
|
commitdiff
|
tree
2015-12-08
Mark Abraha
m
Fix Tr
o
tter inte
g
rati
o
n
commit
|
commitdiff
|
tree
2015-12-03
Mark Ab
r
aham
R
e
m
ove
m
drun -compa
c
t
commit
|
commitdiff
|
tree
2015-12-02
Ma
r
k Abra
h
a
m
Remov
e
twin-range s
c
heme
commit
|
commitdiff
|
tree
2015-11-30
Mark Abraham
R
e
fa
c
tor hard
w
are informati
o
n m
a
nage
m
ent
commit
|
commitdiff
|
tree
2015-11-25
Mark Abrah
a
m
Fix
lo
g
ic o
f
dd_print_missing_interac
t
ions ex
i
t
commit
|
commitdiff
|
tree
2015-11-24
Mark Ab
r
ah
a
m
Fix er
r
or
i
n mu
l
ti-sim communication
commit
|
commitdiff
|
tree
2015-11-23
Mark Abraham
Update and expa
n
d
pre-submit commit matrix
commit
|
commitdiff
|
tree
2015-11-22
Mark Abra
h
a
m
Fix gen
e
ric
g
roup-sche
m
e
kernel table dereferencing
commit
|
commitdiff
|
tree
2015-11-20
M
a
rk Abraham
S
p
lit wallcycle
i
nterfa
c
e
commit
|
commitdiff
|
tree
2015-11-20
M
a
rk Abraham
Re
m
ove ewcWAI
T
_
GPU_NB_L_EST
commit
|
commitdiff
|
tree
2015-11-19
Mark Abraham
Simplified init and mdrun code
commit
|
commitdiff
|
tree
2015-11-16
Mar
k
Abraham
Fi
x
use of #if vs
#ifdef
commit
|
commitdiff
|
tree
2015-11-16
Mark Abra
h
am
R
em
o
v
e
t_adres
s
commit
|
commitdiff
|
tree
2015-11-16
M
ark
A
braham
F
i
x Al
i
gn
e
dAllocator with MSVC2015 debug mode
commit
|
commitdiff
|
tree
2015-11-16
Mark Ab
r
a
ham
Remo
v
ed state_
g
l
o
b
al from mdrun en
e
rgy
-
s
u
mm
a
tio
n
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
Remove "supp
o
rt"
for twin-range with VV integrators
commit
|
commitdiff
|
tree
2015-11-16
Mark Ab
r
a
h
am
Merge branch release
-
5
-
1
commit
|
commitdiff
|
tree
2015-11-15
Mark Abraham
Remove AdResS
commit
|
commitdiff
|
tree
2015-11-15
Ma
r
k Abra
h
a
m
Mo
v
e responsibi
l
it
y
for FFT d
e
scription str
i
ng
commit
|
commitdiff
|
tree
2015-11-14
M
ar
k
A
braham
Moved al
l
co
o
l stuff to i
t
s own fi
l
e
commit
|
commitdiff
|
tree
2015-11-14
Mark Abraham
F
i
x wa
l
ltime
m
easurement with
b
gclang
commit
|
commitdiff
|
tree
2015-11-13
Mark Abra
h
am
Up
d
ate includesorter
.
py
commit
|
commitdiff
|
tree
2015-11-11
Mark Abraham
M
erge re
l
e
a
se-5-0
i
nto release-5-1
commit
|
commitdiff
|
tree
2015-11-10
Mark Abr
a
ham
Bump patch
v
ersion to
p
repare
fo
r
5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-05
Mark Abraham
M
ov
e
DD has
h
ing to
d
o
m
d
ec module
commit
|
commitdiff
|
tree
2015-11-05
Ma
r
k Abraham
Han
d
le ano
t
her unused variable
commit
|
commitdiff
|
tree
2015-11-04
Ma
r
k Abraham
Permit matrix b
u
ild wi
t
h Rel
W
ith
D
ebInfo se
t
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Even
l
ess moving f
r
om unique_ptr
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Version 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-11-04
Mark A
b
r
a
ham
Fix
i
cc
1
6
i
ssues
commit
|
commitdiff
|
tree
2015-11-04
M
ark
A
b
raham
St
o
p moving from uni
q
u
e_p
t
r
when cop
y
elision w
o
rks
commit
|
commitdiff
|
tree
2015-11-03
Mar
k
Abraham
Qu
i
et warnings with clang-3
.
7
commit
|
commitdiff
|
tree
next