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Use signed arithmetic in enumeration helper
2020-07-06
Roland Sc
h
ulz
Modernize STL us
a
ge
commit
|
commitdiff
|
tree
2020-07-01
Roland Schulz
Simpl
i
fy Iterators
commit
|
commitdiff
|
tree
2020-06-26
Rolan
d
Schulz
Change Ar
r
ayRef
t
o
u
se a pr
o
p
er iterator
commit
|
commitdiff
|
tree
2020-06-26
Rol
a
nd
Schulz
MKL NULL->nu
l
lptr and remove dead code
commit
|
commitdiff
|
tree
2020-06-24
Roland S
c
hulz
Fix OpenCL in
s
tall
commit
|
commitdiff
|
tree
2020-06-24
Roland Schulz
Fix clFFT build without GMX_LOA
D
_PLUGINS
commit
|
commitdiff
|
tree
2020-06-23
Roland Sc
h
ulz
D
o
n'
t
print pyg
m
ents error
commit
|
commitdiff
|
tree
2020-04-28
Roland Schulz
Add
c
l
ang
W
A
commit
|
commitdiff
|
tree
2020-04-28
Roland Schulz
Fix MSVC 201
9
test f
a
i
l
ures
commit
|
commitdiff
|
tree
2020-04-25
Roland Sch
u
l
z
Fix M
S
VC 2019 warnings
commit
|
commitdiff
|
tree
2020-01-08
Roland Schu
l
z
Me
r
ge relea
s
e-201
9
into releas
e
-2020
commit
|
commitdiff
|
tree
2020-01-07
Roland Schu
l
z
Workaround for
I
CC
19u5 and 2
0
initial
commit
|
commitdiff
|
tree
2020-01-07
Roland Schu
l
z
Add
s
upport
for IC
C
NextGen with MKL
commit
|
commitdiff
|
tree
2019-03-28
R
oland Schulz
Fix UB
ve
c
tor usage
commit
|
commitdiff
|
tree
2019-03-27
Roland Sch
u
l
z
Fix U
B
v
e
c
t
or usage
commit
|
commitdiff
|
tree
2019-03-08
Ro
l
an
d
Schulz
Fix
I
CC warnings
commit
|
commitdiff
|
tree
2019-03-01
Roland Sch
u
lz
Impr
o
ve documen
t
ation links
commit
|
commitdiff
|
tree
2019-02-19
Ro
l
a
n
d S
c
hulz
Add GMX_OCL_SHOW_D
I
AGNO
S
T
ICS en
v
option
commit
|
commitdiff
|
tree
2019-02-19
Roland Schulz
Imp
r
ove l
i
bstd++ h
a
ndling
commit
|
commitdiff
|
tree
2019-02-11
Roland Schulz
Re
m
ove EmptyArrayRef
commit
|
commitdiff
|
tree
2019-02-08
Roland
Schul
z
Fix sign warning
commit
|
commitdiff
|
tree
2019-02-07
R
ola
n
d Schulz
Reve
r
t size to
b
e uns
i
gne
d
f
or ArrayRef
commit
|
commitdiff
|
tree
2019-02-07
R
o
l
a
nd Schulz
Add ssize and remove
static
_
casts
commit
|
commitdiff
|
tree
2019-02-04
Roland
Schulz
Rename
all sour
c
e
files from
- t
o
_ for
consistency
.
commit
|
commitdiff
|
tree
2019-02-04
Roland Schu
l
z
Fix cmake policy
wa
r
ning
commit
|
commitdiff
|
tree
2019-02-04
Roland Schulz
Replace
compat::make_un
i
qu
e
w
ith std::make_uni
q
u
e
commit
|
commitdiff
|
tree
2019-02-02
R
o
land Schulz
Fix I
n
tel compile
r
on
W
indows b
u
ild
commit
|
commitdiff
|
tree
2019-02-02
Rol
a
n
d
S
chulz
Re
n
am
e
d listed-forces
t
o listed_
f
orces
commit
|
commitdiff
|
tree
2019-02-02
Rola
n
d
S
chulz
Remove reliance on in
c
onsistent cm
a
ke feature
t
esting
commit
|
commitdiff
|
tree
2019-02-02
Roland S
c
hulz
Add recommendation of how to
co
m
pile
w
it
h
MPI
commit
|
commitdiff
|
tree
2019-01-31
Roland
S
c
hulz
Fix
clfft build
commit
|
commitdiff
|
tree
2019-01-30
Rol
a
nd Schulz
Change all
C to C++
outs
i
de
of
TNG
commit
|
commitdiff
|
tree
2019-01-29
Roland Sch
u
lz
A
dd cmake C++14 fe
a
ture check
commit
|
commitdiff
|
tree
2019-01-28
Roland Schulz
Resolve C+
+
14 T
O
D
Os
commit
|
commitdiff
|
tree
2019-01-26
Roland S
c
hulz
Fix
clan
g
warning
commit
|
commitdiff
|
tree
2019-01-26
Roland Sc
h
ulz
Fix misc
clang warn
i
ngs
commit
|
commitdiff
|
tree
2019-01-25
Roland Schulz
Require C++14
commit
|
commitdiff
|
tree
2019-01-25
R
ol
a
nd
Schulz
Work-arou
n
d
for ICC bug in simd-
t
ests
commit
|
commitdiff
|
tree
2019-01-23
Rol
a
nd
Schulz
Me
r
ge release-
2
0
19 int
o
mas
t
er
commit
|
commitdiff
|
tree
2019-01-23
Roland Schulz
Merge relea
s
e-2
0
18 into release-201
9
commit
|
commitdiff
|
tree
2019-01-23
R
o
land Schulz
Rename
gmx Variant to
Any
commit
|
commitdiff
|
tree
2019-01-23
Roland Schulz
Tur
n
Sy
s
temAtomIterator i
n
to proper iterator
commit
|
commitdiff
|
tree
2019-01-15
Roland Schulz
Re
q
uire cmake 3
.
9
.
6
commit
|
commitdiff
|
tree
2018-12-13
Rolan
d
Sc
h
ulz
Remove un
u
sed
M
drunComparis
o
nF
i
xtu
r
e
commit
|
commitdiff
|
tree
2018-11-16
Roland Schulz
Merge release-2019
i
nto master
commit
|
commitdiff
|
tree
2018-10-09
Rolan
d
Schulz
Fix MSAN err
o
rs
commit
|
commitdiff
|
tree
2018-10-08
R
o
land S
c
hulz
OCL:
A
dd con
s
t
to function argument
s
commit
|
commitdiff
|
tree
2018-10-08
Rolan
d
Sch
u
lz
Add OCL kernel targ
e
t
commit
|
commitdiff
|
tree
2018-10-08
Rol
a
nd Schulz
Fix OCL
compiler warnings
commit
|
commitdiff
|
tree
2018-10-08
Rolan
d
Schulz
Remove majority of OCL command line cons
t
ants
commit
|
commitdiff
|
tree
2018-10-05
Roland Schulz
Fix multiple bugs
d
etec
t
ed on Windows
commit
|
commitdiff
|
tree
2018-10-05
Roland Schul
z
OCL: Ma
k
e
vari
a
b
les c
o
nst
commit
|
commitdiff
|
tree
2018-10-04
Roland Schulz
Use subgroup f
o
r warp_any and CJ4 prefetch
commit
|
commitdiff
|
tree
2018-10-02
Roland
Sc
h
u
l
z
Use s
u
bg
r
oup
s
huffle for
r
educ
t
ion
commit
|
commitdiff
|
tree
2018-10-02
R
oland S
c
hul
z
Narrow sco
p
e
of IC
C
compiler
w
ork
-
around
commit
|
commitdiff
|
tree
2018-09-27
Ro
l
and Schulz
Recognize
I
ntel GP
U
as
compatible
commit
|
commitdiff
|
tree
2018-09-21
Roland
Schulz
Fix
c
l
a
n
g
-tid
y
w
arnings for clang 7
commit
|
commitdiff
|
tree
2018-09-18
Roland Schu
l
z
Fix
b
itmask pr
i
nting
commit
|
commitdiff
|
tree
2018-09-15
Roland Schulz
Replace slave with age
n
t
commit
|
commitdiff
|
tree
2018-09-14
Roland Schulz
Warn for type
m
i
sm
a
tc
h
f
or gmx printf li
k
e fu
n
ctions
3/3
commit
|
commitdiff
|
tree
2018-09-13
Roland Schulz
Remove spa
r
c64_hpc_ac
e
nonbonded kernels
commit
|
commitdiff
|
tree
2018-09-13
Roland Schul
z
Remove
u
s
eless co
m
ments
commit
|
commitdiff
|
tree
2018-09-12
R
ola
n
d S
c
hulz
Wa
r
n
f
o
r type misma
t
ch
f
or
g
mx
p
rin
t
f l
i
ke functi
o
ns 2/3
commit
|
commitdiff
|
tree
2018-09-12
Roland Schu
l
z
Add SSE2 + do
u
ble config
commit
|
commitdiff
|
tree
2018-09-12
Roland Schulz
Remo
v
e cpluscplus ifdef
s
commit
|
commitdiff
|
tree
2018-09-12
Roland Schulz
Fix clang-t
i
dy warnings for OCL
commit
|
commitdiff
|
tree
2018-09-11
R
o
l
a
nd Schulz
F
i
x S
S
E4
.
1 after cha
n
ge t
o
C+
+
commit
|
commitdiff
|
tree
2018-09-11
Roland Schul
z
Compile n
o
nbonded kernels
a
s C++
commit
|
commitdiff
|
tree
2018-09-10
R
o
l
and Schu
l
z
Replace
round
i
ng
u
si
n
g
int(x+0
.
5
)
with r
o
un
d
ToI
n
t
commit
|
commitdiff
|
tree
2018-09-10
R
o
land Schulz
Add roundToInt
commit
|
commitdiff
|
tree
2018-09-07
Rol
a
nd Sch
u
lz
c
lang
-
tidy
:
override
commit
|
commitdiff
|
tree
2018-09-07
Roland Sc
h
ulz
Simplify Allocator
commit
|
commitdiff
|
tree
2018-09-06
Roland S
c
hulz
HostAllo
c
a
tor: Remo
v
e unnecessary template
commit
|
commitdiff
|
tree
2018-09-06
R
olan
d
Schulz
Remove pin/unpin f
r
om
HostAllocato
r
commit
|
commitdiff
|
tree
2018-09-06
Roland Schulz
C
hang
e
C
anBeP
i
nned to Pinn
e
dIfSupported
commit
|
commitdiff
|
tree
2018-09-05
Roland
S
c
h
ulz
Rem
o
ve
m
eta infor
m
a
tion from host al
l
oca
t
o
r
policy
commit
|
commitdiff
|
tree
2018-09-03
Roland Schulz
R
educe duplic
a
tion in gpu
_
utils
commit
|
commitdiff
|
tree
2018-09-02
Roland Schul
z
Turn DlbState int
o
scoped enum
commit
|
commitdiff
|
tree
2018-08-29
R
ol
a
nd Schu
l
z
Doc
u
men
t
c
l
ang-tidy libstdc++
i
ncom
p
a
t
ibilit
y
commit
|
commitdiff
|
tree
2018-08-29
R
o
land
Schu
l
z
Use more con
s
t
i
n
har
d
waretopolog
y
commit
|
commitdiff
|
tree
2018-08-29
Roland Schul
z
Fix c
l
ang-t
i
dy b
u
ild with lib
s
tdc++
>= 7
commit
|
commitdiff
|
tree
2018-08-28
Roland
Schulz
A
d
d har
d
limit for line l
e
n
g
th
commit
|
commitdiff
|
tree
2018-08-27
R
o
land Sch
u
lz
En
a
ble
m
o
r
e clang-tidy checks
f
or new code
commit
|
commitdiff
|
tree
2018-08-20
Roland Sch
u
lz
Remove macros in util
i
ty/tests/arrayref
commit
|
commitdiff
|
tree
2018-08-19
Rolan
d
Schulz
Fix simd-test
commit
|
commitdiff
|
tree
2018-08-18
Rola
n
d S
c
hulz
readabilit
y
-implicit-
b
ool-conversion 2/2
commit
|
commitdiff
|
tree
2018-08-18
Roland Schu
l
z
readability-im
p
licit-bool-conversion 1/2
commit
|
commitdiff
|
tree
2018-08-18
Rolan
d
Schulz
clang-tidy
modernize
commit
|
commitdiff
|
tree
2018-08-18
Roland Sc
h
ulz
c
l
ang-tidy: go
o
gle tests applicable
commit
|
commitdiff
|
tree
2018-08-18
Roland
S
c
hu
l
z
En
a
b
le clang tidy/warn
i
ngs for tests
commit
|
commitdiff
|
tree
2018-08-14
Roland Schulz
Fix i
n
t/b
o
ol
bugs
commit
|
commitdiff
|
tree
2018-08-14
Roland Schul
z
Remov
e
BasicVector
.
as_vec
commit
|
commitdiff
|
tree
2018-08-13
Roland Sc
h
u
lz
R
e
move co
d
e duplication in trajana/mo
d
ules/traje
c
tory
commit
|
commitdiff
|
tree
2018-08-13
Roland Schulz
Remove cppcheck
commit
|
commitdiff
|
tree
2018-08-13
Roland Schulz
Fi
x
MS
D
commit
|
commitdiff
|
tree
2018-08-12
R
oland Sch
u
lz
3
/
3 of old-style cas
t
ing
commit
|
commitdiff
|
tree
2018-08-12
R
o
land Schulz
A
d
d
_real user
defined lit
e
ral
commit
|
commitdiff
|
tree
2018-08-11
Roland Schulz
E
nable clang-
t
i
dy for
h
ea
d
e
rs
commit
|
commitdiff
|
tree
2018-08-10
Roland Schulz
Avo
i
d using
glo
b
al
variables in pr
o
grams
commit
|
commitdiff
|
tree
2018-08-08
Roland Sch
u
lz
2/3 of old-style casti
n
g
commit
|
commitdiff
|
tree
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