repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Fix pairlist bug
2019-08-26
M
a
rk
Abraham
Fix pair
l
ist b
u
g
commit
|
commitdiff
|
tree
2019-08-23
Mark Abra
h
am
Updat
e
cla
n
g-tidy to
c
lang
v
ersion 8
commit
|
commitdiff
|
tree
2019-08-22
M
a
r
k Abraham
M
e
rge branch releas
e
-2019
commit
|
commitdiff
|
tree
2019-08-22
Mark Ab
r
aham
I
mprove
c
lang-ana
l
yzer build time
commit
|
commitdiff
|
tree
2019-08-22
Mark Abraham
Fix release matrix
commit
|
commitdiff
|
tree
2019-08-21
Mark Abraham
Impr
o
v
e organ
i
z
a
tion of
L
INCS reporting
commit
|
commitdiff
|
tree
2019-08-20
Mark Abrah
a
m
Appl
y
clan
g
-tidy-8 r
e
ad
a
bilit
y
-
u
pp
e
rcase-literal-suffix
commit
|
commitdiff
|
tree
2019-08-20
Mark Abrah
a
m
Use poten
t
i
a
l-shift a
s
defaul
t
modifi
e
r
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
R
educe cosine a
c
celer
a
tion quantity properly
commit
|
commitdiff
|
tree
2019-08-20
M
ar
k
Ab
r
aham
Fix issues for
c
lang-analyzer-8
commit
|
commitdiff
|
tree
2019-08-19
Mark Abraham
M
oderniz
e
t_matrix,
t
_map
p
in
g
,
t
_
r
g
b
commit
|
commitdiff
|
tree
2019-08-19
M
a
rk Abraham
M
o
dernize t_psd
a
t
a
commit
|
commitdiff
|
tree
2019-08-16
M
a
rk Abrah
a
m
Upda
t
e
test
i
ng
m
atrices and
fix warnin
g
s
commit
|
commitdiff
|
tree
2019-08-16
Mark Abr
a
ham
M
ov
e
k
e
y
v
aluetree
w
riter code
commit
|
commitdiff
|
tree
2019-08-16
Mark Abr
a
ham
Stop
nbnxm/grid
.
h depending on SIMD mo
d
u
l
e
commit
|
commitdiff
|
tree
2019-08-15
Mark
Abraham
Remove r
u
n
-
time check from calc_shift
s
commit
|
commitdiff
|
tree
2019-08-14
Mark Abraham
Fix vv integra
t
ors
commit
|
commitdiff
|
tree
2019-08-13
Mark
Abraham
Remove workaroun
d
f
or buggy cmake
commit
|
commitdiff
|
tree
2019-08-13
Mark Abraham
Fix
i
cc 19
codegen issue
commit
|
commitdiff
|
tree
2019-08-12
Mark Abra
h
am
Quiet wa
r
n
i
n
g
commit
|
commitdiff
|
tree
2019-08-12
Ma
r
k Abrah
a
m
F
i
x
ocl_kernel targe
t
commit
|
commitdiff
|
tree
2019-08-08
Ma
r
k Abraham
Fi
x
estim
a
te of
t
he s
i
ze of a j list
commit
|
commitdiff
|
tree
2019-08-08
M
a
rk
A
braham
Initi
a
li
z
e gmx
_
e
k
indata
_
t and
t
_vcm properly
commit
|
commitdiff
|
tree
2019-08-08
Ma
r
k Abraham
S
top testing ICC on
Window
s
commit
|
commitdiff
|
tree
2019-08-06
Mark Abraha
m
Fix for
M
SV
C
+CUD
A
commit
|
commitdiff
|
tree
2019-08-05
Mark Abraham
A
dd quote
commit
|
commitdiff
|
tree
2019-08-05
Mark Abr
a
ham
Remove li
b
g
r
oma
c
s_gen
e
r
a
t
ed contributi
o
ns f
r
o
m FindCUDA
.
.
.
commit
|
commitdiff
|
tree
2019-08-01
Mark Abraham
Manage compiler fla
g
s and some include
o
p
tions per
.
.
.
commit
|
commitdiff
|
tree
2019-08-01
Mark Abraham
Improve use of
object libraries
in libg
r
omacs
commit
|
commitdiff
|
tree
2019-08-01
M
a
r
k Abrah
a
m
Merge
"
Merge
r
elease
-
2019 into master"
commit
|
commitdiff
|
tree
2019-07-24
Mark Abraham
Remove tests of make_unique
commit
|
commitdiff
|
tree
2019-07-23
Mark Abr
a
ham
Update de
v
elo
p
er guide
commit
|
commitdiff
|
tree
2019-07-16
Mark Abr
a
ham
Add gpubu
f
ferop
s
test
matrix
commit
|
commitdiff
|
tree
2019-07-11
Mark Ab
r
aha
m
Fix pre
-
submit
buil
d
matrix and descripti
o
n
commit
|
commitdiff
|
tree
2019-07-08
Mark Abraham
Fix hwloc
a
nd sphinx detection
commit
|
commitdiff
|
tree
2019-07-08
Mark A
b
raham
Test specific hwloc ve
r
si
o
ns
commit
|
commitdiff
|
tree
2019-07-05
M
a
rk Abrah
a
m
Improve tests of index block
c
onstructi
o
n
commit
|
commitdiff
|
tree
2019-07-05
Mark Abraha
m
Modernize Fi
n
dHwloc
.
cmake
commit
|
commitdiff
|
tree
2019-07-04
Mark Abraham
F
urther
c
lang-tidy-7 fix
commit
|
commitdiff
|
tree
2019-07-04
Mark Ab
r
aham
Fix cl
a
ng-
t
idy-7 issues
commit
|
commitdiff
|
tree
2019-07-03
Mark Abrah
a
m
Reord
e
r optio
n
s
commit
|
commitdiff
|
tree
2019-07-02
Mark
A
b
ra
h
am
C
l
arify
w
o
r
d
ing
o
f rel
e
ase notes
commit
|
commitdiff
|
tree
2019-06-18
Mark Abra
h
a
m
Move code handl
i
ng mdrun -gpu_id
t
o tas
k
assignment
.
.
.
commit
|
commitdiff
|
tree
2019-06-12
Mark Abrah
a
m
F
i
x pygments det
e
ction for sphinx for docs build
commit
|
commitdiff
|
tree
2019-06-11
Mark Abraham
Use RAII approaches for
h
a
r
dware informa
t
ion
dete
c
tion
commit
|
commitdiff
|
tree
2019-06-11
Mark Abraham
C
l
ean up
multisim, com
m
unica
t
ion,
a
n
d
REMD
c
o
d
e
commit
|
commitdiff
|
tree
2019-06-11
M
ark
A
braham
Init
i
alize
all of gmx_d
o
md
e
c_comm_t
commit
|
commitdiff
|
tree
2019-05-24
Mark Abraham
Reorder code
b
efore thread-MPI spaw
n
s threads
commit
|
commitdiff
|
tree
2019-05-23
Mark
A
braham
Teach
Array
R
efWithPadding to make a
c
o
nst
fla
v
our
commit
|
commitdiff
|
tree
2019-05-23
Mark Abra
h
am
Re
v
ert "Fix
e
d dvdlambd
a
for
SHAKE + FE"
commit
|
commitdiff
|
tree
2019-05-22
Mark
A
br
a
ham
Rewri
t
e
starting behavio
r
commit
|
commitdiff
|
tree
2019-05-22
Mark Abra
h
am
Introduce tri-stat
e
enums for res
t
arts
commit
|
commitdiff
|
tree
2019-05-22
M
a
r
k Abraham
Move fun
c
tionalit
y
to mdrunutili
t
y
commit
|
commitdiff
|
tree
2019-05-20
Mark Abraham
Fi
x
equatio
n
typo
commit
|
commitdiff
|
tree
2019-05-14
Mar
k
A
brah
a
m
Updat
e
infrastructure needed for restar
t
r
e
write
commit
|
commitdiff
|
tree
2019-05-08
M
ark Abraham
Provi
d
e hook for fork
s
of GROMAC
S
to describe themselves
commit
|
commitdiff
|
tree
2019-05-07
Mark Abraham
Provide bet
t
er
help for usi
n
g
libc
+
+
commit
|
commitdiff
|
tree
2019-05-07
M
a
r
k Abraha
m
Ad
d
a
n
e
x
a
mple of using an MPI wrapper compi
l
e
r
commit
|
commitdiff
|
tree
2019-05-06
Mark Abraham
Improve how mdrun -noappend
n
ames ou
t
put files
commit
|
commitdiff
|
tree
2019-05-03
M
a
rk Abraham
More te
s
ts for how mdrun -cpi res
t
arts
handl
e
fil
e
s
commit
|
commitdiff
|
tree
2019-05-02
Mark
Ab
r
a
h
am
E
n
h
ance path search fu
n
cti
o
ns
commit
|
commitdiff
|
tree
2019-04-30
Mark A
b
raham
Test t
h
e outp
u
t of
"
g
mx
mdrun help"
commit
|
commitdiff
|
tree
2019-04-25
M
a
rk Abrah
a
m
Update st
y
le
g
u
i
de about class en
u
ms
commit
|
commitdiff
|
tree
2019-04-23
M
a
rk Abraham
Clarif
y
p
ushing of interact
i
on type
s
commit
|
commitdiff
|
tree
2019-04-23
Mark Abraham
Updated clang -Weverything
c
hecks to c
l
ang-7
commit
|
commitdiff
|
tree
2019-04-18
M
a
rk A
b
raham
C
reat
e
gmx::compa
t
::
o
ptional
commit
|
commitdiff
|
tree
2019-04-18
M
a
rk Abraham
Move pull
w
ork str
u
ct
out of inpu
t
r
ec
commit
|
commitdiff
|
tree
2019-04-18
Mark
Abraham
I
m
prove
s
wapcoor
d
s session lifetime m
a
n
a
gement
commit
|
commitdiff
|
tree
2019-04-17
Mark Abraham
Fix post
-
s
u
b
mit
commit
|
commitdiff
|
tree
2019-04-16
Mar
k
Abraham
Removed mdr
u
n -gcom
commit
|
commitdiff
|
tree
2019-04-13
M
a
rk
A
b
r
a
h
am
F
ix self-consistency te
s
ts of hwloc data structures
commit
|
commitdiff
|
tree
2019-04-12
Mark Abr
a
ham
Improve
warni
n
g message
s
a
bout dup
l
icate definition
s
commit
|
commitdiff
|
tree
2019-04-10
Mark
A
braham
Start makin
g
IMD an
d
s
w
ap model IMDModule
commit
|
commitdiff
|
tree
2019-04-10
Mark A
b
raham
Reuse rvecs_diff
e
r in Interactiv
e
M
D
module
commit
|
commitdiff
|
tree
2019-04-10
M
ark Abrah
a
m
M
a
ke
ImdS
e
ssion i
n
t
o a Pi
m
pl-ed cla
s
s
with factor
y
.
.
.
commit
|
commitdiff
|
tree
2019-04-10
Mark Abraham
Ref
o
rm IMD module
commit
|
commitdiff
|
tree
2019-04-09
Mar
k
Abraham
Fix
t
ypo in AVX512
detec
t
ion
code
commit
|
commitdiff
|
tree
2019-04-03
Mark A
b
raham
Ini
t
ial deactivation o
f
group
s
che
m
e
.
commit
|
commitdiff
|
tree
2019-04-01
Ma
r
k A
b
ra
h
a
m
Move MDModules initializ
a
ti
o
n e
a
r
l
ier
commit
|
commitdiff
|
tree
2019-04-01
Ma
r
k Abraham
Move
e
nerdata owner
s
hip to mdrun
n
er
commit
|
commitdiff
|
tree
2019-03-28
Mark Abraham
Move Domde
c
Options int
o
its own header
commit
|
commitdiff
|
tree
2019-03-25
M
a
rk Abraham
Su
p
port ArrayRef of
Enume
r
ationArray
commit
|
commitdiff
|
tree
2019-03-25
Mark
A
braham
Convert g
m
x dump to mo
d
ule
commit
|
commitdiff
|
tree
2019-03-20
Mark Abraham
Clean up mdrun help descript
i
o
n
commit
|
commitdiff
|
tree
2019-03-20
M
ark Abrah
a
m
Improve
m
imic mo
d
u
l
e
commit
|
commitdiff
|
tree
2019-03-19
Mark Abr
a
ham
Ad
d
suppo
r
t for se
r
iali
z
i
n
g 32-bit
int
e
gers
commit
|
commitdiff
|
tree
2019-03-19
Ma
r
k Ab
r
aham
Fix
clang warni
n
g
commit
|
commitdiff
|
tree
2019-03-19
Mark Ab
r
ah
a
m
Up
d
ate Ele
c
tricF
i
eld mod
u
le
commit
|
commitdiff
|
tree
2019-03-19
Mark A
b
raham
Pre
v
ente
d
FFTW buil
d
err
o
rs with clang
an
d
AVX-51
2
commit
|
commitdiff
|
tree
2019-03-13
Mark
Abraham
Provid
e
re
m
in
d
er of
which nvcc is in u
s
e
commit
|
commitdiff
|
tree
2019-03-12
Mark Abraham
F
i
x memory leak
commit
|
commitdiff
|
tree
2019-03-07
Mark Abraham
E
limi
n
ate mdlib/m
d
run
.
h
commit
|
commitdiff
|
tree
2019-03-07
Mark Ab
r
a
h
am
Remove ineffective co
d
e for writing m
o
re TER
f
ields
.
.
.
commit
|
commitdiff
|
tree
2019-03-07
Mark Abraham
N
e
w tests for pd
b
2gmx and edit
c
o
nf
commit
|
commitdiff
|
tree
2019-03-06
Mark Abraham
Clean up use o
f
loop
i
ndice
s
commit
|
commitdiff
|
tree
2019-03-06
Mark Abraham
Revert "Eliminate mdlib/mdrun
.
h"
commit
|
commitdiff
|
tree
2019-03-06
M
a
rk Ab
r
aham
E
l
iminate mdli
b
/mdrun
.
h
commit
|
commitdiff
|
tree
2019-03-06
Mark Abraham
Minor
m
odernization in g
m
x_dump
commit
|
commitdiff
|
tree
2019-03-05
Mark Abraham
Make
pdb
2
gmx tests
run in Jenkins
commit
|
commitdiff
|
tree
2019-03-02
M
ark
A
braham
Merge
branch release-2019
commit
|
commitdiff
|
tree
next