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Added more docs and tests to EnumerationArray
2020-01-08
Roland
S
chul
z
Merg
e
release-2019 into release-202
0
commit
|
commitdiff
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tree
2020-01-07
Roland Schulz
Workaround f
o
r IC
C
19u5 an
d
2
0
initial
commit
|
commitdiff
|
tree
2020-01-07
Roland Schulz
Add support for ICC
N
extGen w
i
t
h M
K
L
commit
|
commitdiff
|
tree
2019-03-28
R
o
land Schu
l
z
Fix UB vector us
a
ge
commit
|
commitdiff
|
tree
2019-03-27
Ro
l
and Sc
h
ulz
Fix UB v
e
ctor usag
e
commit
|
commitdiff
|
tree
2019-03-08
R
o
land S
c
hulz
F
ix
I
CC warnings
commit
|
commitdiff
|
tree
2019-03-01
Roland Sc
h
u
l
z
I
m
prove
d
ocumentation
l
inks
commit
|
commitdiff
|
tree
2019-02-19
Rolan
d
Sc
h
ulz
Ad
d
G
MX_O
C
L_SHOW_DIAGNOSTI
C
S
env
o
ption
commit
|
commitdiff
|
tree
2019-02-19
Roland Schulz
Improve libst
d
++ han
d
ling
commit
|
commitdiff
|
tree
2019-02-11
Roland Schu
l
z
R
emove EmptyArr
a
y
Ref
commit
|
commitdiff
|
tree
2019-02-08
Rol
a
nd Schulz
F
i
x sign warning
commit
|
commitdiff
|
tree
2019-02-07
Roland Sc
h
u
lz
Revert size
to be unsigned for ArrayRef
commit
|
commitdiff
|
tree
2019-02-07
Rola
n
d
Schulz
Add ssize and
remove static_c
a
sts
commit
|
commitdiff
|
tree
2019-02-04
R
o
land
S
chulz
Rename a
l
l source fi
l
es from - to
_
for con
s
i
stency
.
commit
|
commitdiff
|
tree
2019-02-04
Roland Schulz
Fix cmake p
o
licy warn
i
ng
commit
|
commitdiff
|
tree
2019-02-04
R
oland Sc
h
ulz
Replace com
p
at
:
:mak
e
_unique wi
t
h
std:
:
make_unique
commit
|
commitdiff
|
tree
2019-02-02
Roland Schulz
Fix In
t
el compile
r
on Windows build
commit
|
commitdiff
|
tree
2019-02-02
Roland Sch
u
lz
Rename
d
listed-forces to listed_forces
commit
|
commitdiff
|
tree
2019-02-02
Roland Schu
l
z
Remo
v
e reliance on
i
nconsis
t
ent c
m
ake f
e
ature testi
n
g
commit
|
commitdiff
|
tree
2019-02-02
Rolan
d
Schulz
Add recommendation of how to co
m
pile
with MPI
commit
|
commitdiff
|
tree
2019-01-31
Ro
l
and Schulz
Fix clfft
b
uild
commit
|
commitdiff
|
tree
2019-01-30
Rola
n
d Schu
l
z
C
hang
e
al
l
C
to C++ outs
i
de of T
N
G
commit
|
commitdiff
|
tree
2019-01-29
Roland Schu
l
z
Add cmake C++
1
4
f
eatur
e
check
commit
|
commitdiff
|
tree
2019-01-28
Roland Schulz
Res
o
lve C++14 T
O
DOs
commit
|
commitdiff
|
tree
2019-01-26
Rol
a
nd
S
chulz
Fix
clang
w
a
rning
commit
|
commitdiff
|
tree
2019-01-26
R
ol
a
n
d
S
c
hulz
Fix misc cl
a
ng warnings
commit
|
commitdiff
|
tree
2019-01-25
R
o
la
n
d Sch
u
lz
Req
u
ire C++14
commit
|
commitdiff
|
tree
2019-01-25
R
ola
n
d Schu
l
z
Work-a
r
o
und for ICC
b
ug
i
n
simd-tests
commit
|
commitdiff
|
tree
2019-01-23
Roland Schu
l
z
Merge r
e
lease-20
1
9 into m
a
ster
commit
|
commitdiff
|
tree
2019-01-23
Rol
a
nd S
c
hulz
Merge release-
2
018 into relea
s
e
-20
1
9
commit
|
commitdiff
|
tree
2019-01-23
R
o
land
Schulz
Rename gmx Varia
n
t
t
o A
n
y
commit
|
commitdiff
|
tree
2019-01-23
Rol
a
nd Schulz
Turn Sy
s
temAtomIterator i
n
to pro
p
er
i
terator
commit
|
commitdiff
|
tree
2019-01-15
Rola
n
d Schulz
Require
c
make 3
.
9
.
6
commit
|
commitdiff
|
tree
2018-12-13
R
oland Schulz
Remo
v
e
unused MdrunComparis
o
nFixture
commit
|
commitdiff
|
tree
2018-11-16
Roland Schulz
Merge rele
a
se-2019
i
nto master
commit
|
commitdiff
|
tree
2018-10-09
Roland Schulz
Fix
M
S
AN errors
commit
|
commitdiff
|
tree
2018-10-08
R
o
la
n
d Schulz
OCL
:
Add
c
onst to fu
n
ction
arguments
commit
|
commitdiff
|
tree
2018-10-08
Roland Schulz
Add O
C
L kern
e
l target
commit
|
commitdiff
|
tree
2018-10-08
Ro
l
and Schulz
F
ix OC
L
c
o
m
piler
warn
i
ngs
commit
|
commitdiff
|
tree
2018-10-08
Roland Sch
u
lz
Remove maj
o
rity of
O
CL
comman
d
line constants
commit
|
commitdiff
|
tree
2018-10-05
R
o
la
n
d Schulz
Fix mu
l
tiple bugs detec
t
ed on
Windows
commit
|
commitdiff
|
tree
2018-10-05
Rol
a
n
d
Schulz
OCL: Make varia
b
les con
s
t
commit
|
commitdiff
|
tree
2018-10-04
Roland Schulz
Us
e
s
ub
g
ro
u
p for warp
_
any and CJ4 p
r
efetch
commit
|
commitdiff
|
tree
2018-10-02
Ro
l
and Schulz
Use
s
u
b
grou
p
shuffle for re
d
u
c
tion
commit
|
commitdiff
|
tree
2018-10-02
Roland Schulz
Narrow
s
co
p
e of ICC
c
ompile
r
work-around
commit
|
commitdiff
|
tree
2018-09-27
Roland Schulz
Recognize Intel GPU as
c
ompatible
commit
|
commitdiff
|
tree
2018-09-21
R
ola
n
d
S
chulz
F
ix cla
n
g-tidy warnings
f
or clang
7
commit
|
commitdiff
|
tree
2018-09-18
Roland Schulz
F
i
x bitmask prin
t
ing
commit
|
commitdiff
|
tree
2018-09-15
R
oland Schulz
Replace slave with age
n
t
commit
|
commitdiff
|
tree
2018-09-14
Ro
l
and S
c
hul
z
Warn for type mismat
c
h for gmx printf like functions 3/
3
commit
|
commitdiff
|
tree
2018-09-13
Roland S
c
hulz
R
emo
v
e sparc64_hpc_ace nonbonde
d
kernels
commit
|
commitdiff
|
tree
2018-09-13
Rolan
d
Schulz
Remove useless comments
commit
|
commitdiff
|
tree
2018-09-12
Roland S
c
hulz
Warn
f
or t
y
pe mismatc
h
for gmx p
r
intf like functions 2/3
commit
|
commitdiff
|
tree
2018-09-12
Roland Schulz
Add SSE2 + double config
commit
|
commitdiff
|
tree
2018-09-12
Roland Schulz
Remove cpluscplus ifd
e
fs
commit
|
commitdiff
|
tree
2018-09-12
Roland Schulz
Fix clang-tidy
warnings for
O
CL
commit
|
commitdiff
|
tree
2018-09-11
Rol
a
n
d Schulz
F
ix SSE
4
.
1
after change to C++
commit
|
commitdiff
|
tree
2018-09-11
Ro
l
and Sc
h
ulz
Compile n
o
n
bonde
d
kernels as C++
commit
|
commitdiff
|
tree
2018-09-10
Ro
l
and Schulz
R
e
place roundi
n
g
using int
(
x
+0
.
5)
w
ith rou
n
dT
o
Int
commit
|
commitdiff
|
tree
2018-09-10
R
ola
n
d Schulz
Add roundToInt
commit
|
commitdiff
|
tree
2018-09-07
Ro
l
and Schulz
cl
a
ng
-
tidy:
override
commit
|
commitdiff
|
tree
2018-09-07
R
oland Schulz
Simplify Alloc
a
tor
commit
|
commitdiff
|
tree
2018-09-06
R
oland Sch
u
l
z
HostAlloca
t
or: Remove unnecess
a
r
y
t
e
mplate
commit
|
commitdiff
|
tree
2018-09-06
Roland Schulz
Remove pin/u
n
pi
n
f
rom HostAlloc
a
tor
commit
|
commitdiff
|
tree
2018-09-06
R
o
land Sch
u
lz
Chan
g
e CanBePi
n
n
ed
to PinnedIfSupported
commit
|
commitdiff
|
tree
2018-09-05
Rolan
d
Schulz
Remove
m
eta
i
n
formation fr
o
m
host a
l
locator p
o
li
c
y
commit
|
commitdiff
|
tree
2018-09-03
Rola
n
d Schulz
Reduce duplication in gpu_utils
commit
|
commitdiff
|
tree
2018-09-02
Roland Schu
l
z
Turn
D
l
bState into
scoped
enum
commit
|
commitdiff
|
tree
2018-08-29
Roland
Schulz
Docu
m
ent cla
n
g-tidy libstdc+
+
incompatibility
commit
|
commitdiff
|
tree
2018-08-29
Rol
a
nd
Schu
l
z
Use more const i
n
hardwaretopology
commit
|
commitdiff
|
tree
2018-08-29
R
o
l
and Schulz
Fix cla
n
g-tidy b
u
il
d
with l
i
bstdc++ >= 7
commit
|
commitdiff
|
tree
2018-08-28
Roland
Schulz
Add hard limit fo
r
line
l
e
ngth
commit
|
commitdiff
|
tree
2018-08-27
Roland Schulz
Enable more c
l
an
g
-tidy checks f
o
r new code
commit
|
commitdiff
|
tree
2018-08-20
Rolan
d
Sc
h
u
lz
Remove macr
o
s in utility/tests/arrayref
commit
|
commitdiff
|
tree
2018-08-19
R
o
land Schulz
F
ix simd-tes
t
commit
|
commitdiff
|
tree
2018-08-18
R
o
land Schulz
reada
b
ility-implicit-bool-con
v
ersion 2/2
commit
|
commitdiff
|
tree
2018-08-18
Roland Schulz
readability-implicit-bool
-
conver
s
i
o
n
1
/
2
commit
|
commitdiff
|
tree
2018-08-18
Rola
n
d Sch
u
lz
clang-tidy modernize
commit
|
commitdiff
|
tree
2018-08-18
Ro
l
and Schulz
clang-t
i
dy:
g
o
og
l
e tests applicabl
e
commit
|
commitdiff
|
tree
2018-08-18
Ro
l
and Schulz
Enable clang tid
y
/warnings for te
s
ts
commit
|
commitdiff
|
tree
2018-08-14
Roland Schulz
Fix int/
b
o
o
l bugs
commit
|
commitdiff
|
tree
2018-08-14
Roland Schulz
Re
m
ove
B
asicV
e
ctor
.
as_
v
ec
commit
|
commitdiff
|
tree
2018-08-13
Ro
l
a
n
d Schulz
Rem
o
v
e
c
o
de duplic
a
tion in traja
n
a/modules/trajectory
commit
|
commitdiff
|
tree
2018-08-13
Roland Schulz
Remov
e
c
p
p
c
heck
commit
|
commitdiff
|
tree
2018-08-13
Rola
n
d Schulz
Fix MSD
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
Roland
S
chulz
Add _real us
e
r
defined literal
commit
|
commitdiff
|
tree
2018-08-11
Rola
n
d Schulz
E
nable
c
la
n
g
-
tidy for headers
commit
|
commitdiff
|
tree
2018-08-10
R
o
l
a
nd Sc
h
ulz
Avoid us
i
n
g
global variables i
n
programs
commit
|
commitdiff
|
tree
2018-08-08
Roland
Sch
u
lz
2/3 of old-style ca
s
ting
commit
|
commitdiff
|
tree
2018-08-08
Roland Schulz
Fix part of o
l
d-style casting
commit
|
commitdiff
|
tree
2018-08-08
Roland Schulz
Remove
g
mx custom fixed
i
n
t
(e
.
g
.
gmx_int64_t)
t
ypes
commit
|
commitdiff
|
tree
2018-08-07
Roland Schulz
Fix clang-t
i
dy MPI warnings
commit
|
commitdiff
|
tree
2018-08-06
Ro
l
and Schul
z
Change
gmx_bool from int to bool
commit
|
commitdiff
|
tree
2018-08-06
Rol
a
nd Schulz
Dis
a
ble FPE
f
or GC
C
7
.
*
w
ith
optim
i
zati
o
ns
commit
|
commitdiff
|
tree
2018-08-04
Rola
n
d Schulz
cla
n
g-
t
id
y
:
m
odernize make-uni
q
ue/shared
commit
|
commitdiff
|
tree
2018-07-30
Ro
l
and Schulz
Disable FPE
s
at end
o
f runner
commit
|
commitdiff
|
tree
2018-07-16
Roland Schu
l
z
Fix Window
s
+Intel
commit
|
commitdiff
|
tree
2018-07-16
Ro
l
a
n
d Schulz
Warn f
o
r typ
e
mismatch
for
g
mx printf l
i
ke functions 1/3
commit
|
commitdiff
|
tree
2018-07-16
Rol
a
nd Schulz
Enable
d
ebug FP e
x
c
e
ptions
withou
t
TPI, not wit
h
TP
I
commit
|
commitdiff
|
tree
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