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 and update hw_info
2017-03-31
Mark Abraham
Merge
b
ranch
release-2016
commit
|
commitdiff
|
tree
2017-03-29
Mark Abraham
Fix paramete
r
description
for dihedral_restraints
commit
|
commitdiff
|
tree
2017-03-22
M
a
r
k A
b
raham
Ad
d
sect
i
on to user
g
uide f
o
r
managi
n
g simulations
commit
|
commitdiff
|
tree
2017-03-19
M
ark Abraham
Fix string handling for
g
cc 7
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraham
M
erge b
r
an
c
h re
l
ease-2016
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraham
B
u
mped
ver
s
ion to prepar
e
for
next pa
t
ch release
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Version 2016
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mark
A
b
raham
Mo
d
erniz
e
wr
i
te_inpfile
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Mode
r
nize
r
ead_inpfile
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
T
e
sts for gro
m
pp -f -po
commit
|
commitdiff
|
tree
2017-03-09
Mark Abr
a
ham
Refactor GPU selection
handling
commit
|
commitdiff
|
tree
2017-03-07
Mark Abraham
Fix mi
n
or issu
e
s in gmx
t
r
a
j
-av -af
commit
|
commitdiff
|
tree
2017-03-04
Mark Abraham
Fi
x
es for
x
l compilers 13
.
1
.
5 on Power8
commit
|
commitdiff
|
tree
2017-02-20
M
ark Abrah
a
m
A
dd
t
ests for old gmx energy
f
u
nct
i
o
nality
commit
|
commitdiff
|
tree
2017-02-17
Mark Abraha
m
Use
gmx::Mute
x
and gmx::lock_guard to fix some iss
u
es
commit
|
commitdiff
|
tree
2017-02-15
M
ark Abraham
M
e
r
ge bra
n
ch release
-
5-1 into r
e
lease-2016
commit
|
commitdiff
|
tree
2017-02-14
M
a
rk Abra
h
a
m
Fi
x
han
d
lin
g
of previous virials
commit
|
commitdiff
|
tree
2017-02-14
Mark Abraham
R
e
duce compilation coupli
n
g
commit
|
commitdiff
|
tree
2017-02-10
Mar
k
Abr
a
ha
m
C
o
r
r
ec
t
ed ou
t
put of
gmx do_dssp -sc
commit
|
commitdiff
|
tree
2017-02-09
Ma
r
k Abraham
C
o
mplet
e
the
removal of stateful RN
G
commit
|
commitdiff
|
tree
2017-02-09
Mar
k
Ab
r
aham
Im
p
roved s
t
ate_c
h
ang
e
_natoms
a
nd used
i
t
more
commit
|
commitdiff
|
tree
2017-02-09
Mark
A
braham
Re
m
ove EST_DISTR from
state
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mark Abra
h
am
Enhance wa
r
ninp
commit
|
commitdiff
|
tree
2017-02-08
M
a
rk Ab
r
aham
Extend
s
e
r
ialization t
o
gmx_int64_t
commit
|
commitdiff
|
tree
2017-02-08
M
a
rk Abraham
Remov
e
docs for
unimp
l
emented
trjconv -
c
l
us
t
ercenter
commit
|
commitdiff
|
tree
2017-02-08
Mark Abra
h
am
Creat
e
applied-forces module group
commit
|
commitdiff
|
tree
2017-02-08
Mark
A
braham
Give MDModul
e
s respo
n
s
ibili
t
y for o
p
tio
n
han
d
li
n
g
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Merge bran
c
h release-
2
016
commit
|
commitdiff
|
tree
2017-02-07
Mark Ab
r
aham
Bumped vers
i
on to prepare for next patch release
commit
|
commitdiff
|
tree
2017-02-07
Mark A
b
raham
I
nt
r
o
d
u
ced system pre
p
aration section
to user guide
commit
|
commitdiff
|
tree
2017-02-07
Mark A
b
r
aha
m
Version
2016
.
2
commit
|
commitdiff
|
tree
2017-02-05
M
a
rk Ab
r
aham
Mer
g
e branch release-
5
-1 into
r
e
lease
-
201
6
commit
|
commitdiff
|
tree
2017-02-03
Mark
Abraham
Remove typedef
struc
t
in some
md
t
ypes files
commit
|
commitdiff
|
tree
2017-02-02
Mark Ab
r
aham
Clarify
u
se of tau-p
a
n
d pcoup
l
t
y
pe
commit
|
commitdiff
|
tree
2017-01-31
M
ark Abraham
Merge branch release
-
5
-1 into release-2
0
16
commit
|
commitdiff
|
tree
2017-01-30
Mark
A
b
rah
a
m
F
i
x multi-domain reruns
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
Don't print invali
d
performance d
a
ta
commit
|
commitdiff
|
tree
2017-01-23
Mark Abraham
St
o
pped h
e
ader
f
iles including state
.
h
commit
|
commitdiff
|
tree
2017-01-22
Mark Abraham
Fixed
gmx
rmsf -
q
-oq
.
commit
|
commitdiff
|
tree
2017-01-21
Mark Ab
r
aha
m
Remo
v
ed init_state
commit
|
commitdiff
|
tree
2017-01-20
Mark Abraham
Initialize
G
MX_*_LIB
R
ARIES
cmake variables ear
l
ier
commit
|
commitdiff
|
tree
2017-01-14
Mark Ab
r
aham
Merge b
r
anch rel
e
ase-2016
commit
|
commitdiff
|
tree
2017-01-06
M
a
rk
Abraham
Document
ISerial
i
z
e
r class
commit
|
commitdiff
|
tree
2017-01-04
Mark Abrah
a
m
St
o
p trying to u
s
e
obj
d
ump --reloc on
M
ac
commit
|
commitdiff
|
tree
2017-01-04
M
a
rk Abra
h
am
Fix documentation of O
p
tionsVis
i
tor
commit
|
commitdiff
|
tree
2017-01-03
Mark Abra
h
am
Merge branch
r
elease-5-1 into re
l
e
a
se-2016
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Corrected documentation about eig
e
n
value hand
l
ing
commit
|
commitdiff
|
tree
2016-12-20
M
a
rk Ab
r
aha
m
Improve bu
i
l
d
system fo
r
plugin suppor
t
commit
|
commitdiff
|
tree
2016-12-20
Ma
r
k
Abraham
Sanitize some include headers
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Merge branch release-2
0
16
commit
|
commitdiff
|
tree
2016-12-15
M
ark Abraham
Removed support fo
r
m
u
ltipl
e
en
t
ries i
n
mdp
f
iles
commit
|
commitdiff
|
tree
2016-12-15
M
ark Abr
a
ham
Ha
n
dle war
n
inp co
r
rectly in xpm2ps and me
m
bed
commit
|
commitdiff
|
tree
2016-12-14
Mark Abraham
Fix misleading parallel
i
zation docs for gmx wh
a
m
commit
|
commitdiff
|
tree
2016-12-09
Mark Abraham
Fi
x
log
i
c of TRR re
a
ding
commit
|
commitdiff
|
tree
2016-12-09
Mark
A
braham
Remove
n
xfra
m
e from t_t
r
xstatus
commit
|
commitdiff
|
tree
2016-12-08
Mark Abraham
Consolidate fil
e
s supporting TNG file I/O
commit
|
commitdiff
|
tree
2016-12-07
Mark A
b
r
ah
a
m
Merg
e
branch release-201
6
commit
|
commitdiff
|
tree
2016-12-07
Mark Abr
a
ham
Fix memo
r
y handling
in
gmx dump o
f
TNG files
commit
|
commitdiff
|
tree
2016-12-05
Mark Abraham
R
emove undue narro
w
ing of intege
r
in TNG
r
eadi
n
g
commit
|
commitdiff
|
tree
2016-12-01
Mark A
b
raham
Add INSTA
L
L-dev
t
o
aid peopl
e
doing
unusua
l
b
u
i
l
ds
commit
|
commitdiff
|
tree
2016-12-01
M
ark Abraham
Fix minor trjc
o
nv bug
commit
|
commitdiff
|
tree
2016-11-23
M
ark Ab
r
aham
Stop includi
n
g
t
n
g_
i
o
_fwd
.
h
commit
|
commitdiff
|
tree
2016-11-16
Ma
r
k A
b
raham
Enhanced A
r
rayRe
f
commit
|
commitdiff
|
tree
2016-11-16
M
a
rk Abraham
Cre
a
ted
paddedvector
.
h
commit
|
commitdiff
|
tree
2016-11-16
M
a
rk Abraham
Remove unim
p
leme
n
ted gmx t
r
jcat -vel
commit
|
commitdiff
|
tree
2016-10-31
Mark
A
b
rah
a
m
M
e
rge branch
release-2
0
16
commit
|
commitdiff
|
tree
2016-10-31
Mark Abraham
M
e
r
g
e bra
n
ch release-2016
commit
|
commitdiff
|
tree
2016-10-28
Mark A
b
raham
Bump
e
d version
t
o prepare
f
o
r next
patch rel
e
as
e
commit
|
commitdiff
|
tree
2016-10-28
Mark Abraham
Vers
i
o
n
2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mark Abraham
Update install guid
e
commit
|
commitdiff
|
tree
2016-10-21
Mark
A
b
r
a
ham
Update cppch
e
ck
s
u
p
p
ort t
o
1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
Mark Abraham
Up
g
rade coverage ma
t
rix
.
commit
|
commitdiff
|
tree
2016-10-18
Ma
r
k
Abraham
Fix SIMD suggestion for VMX
commit
|
commitdiff
|
tree
2016-10-12
Mark Abra
h
am
Make reg
r
essiontests update
r
build work for master
.
.
.
commit
|
commitdiff
|
tree
2016-10-11
Mark A
b
raham
Update f
o
r
F
FT
W
3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-10
Mark Abraham
M
erge "
M
e
r
ge branch
release-2016"
commit
|
commitdiff
|
tree
2016-10-09
Mark
A
braham
M
e
r
ge b
r
an
c
h release
-
2016
commit
|
commitdiff
|
tree
2016-10-07
Ma
r
k A
b
raham
A
dd script fo
r
J
enkins
regressiontest update
j
o
b
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
Merge branc
h
relea
s
e-5-1 into r
e
l
e
ase
-
2
016
commit
|
commitdiff
|
tree
2016-10-03
M
ark
A
braham
Rep
l
ace use of deprecate
d
readdir_r
commit
|
commitdiff
|
tree
2016-09-12
Mark Abraham
Preli
m
i
n
a
r
y clea
n
up of NVML code
commit
|
commitdiff
|
tree
2016-09-08
Mark Abraham
Merge branch release-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-09-08
M
ark A
b
raham
Bumped p
a
tch number to prep
a
re for future 5
.
1
.
5 release
commit
|
commitdiff
|
tree
2016-09-07
Ma
r
k Abraham
Version 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Removed
HIS1 from oplsaa and char
m
m d
e
finition
s
commit
|
commitdiff
|
tree
2016-09-07
M
a
rk Abr
a
h
a
m
Fix
L
Y
N char
g
es
in am
b
er03
commit
|
commitdiff
|
tree
2016-09-07
Mark A
b
raham
Fix
a
m
ber03 HIP charge
s
commit
|
commitdiff
|
tree
2016-09-06
Mark Abr
a
ham
Work around glibc
2
.
23 wi
t
h CU
D
A
commit
|
commitdiff
|
tree
2016-08-27
M
ark
A
b
r
a
h
am
Sto
p
usin
g
g
m
x_fatal in grompp
commit
|
commitdiff
|
tree
2016-08-24
Mark Abraham
Remove hacks for outdated Bl
u
eGene su
p
port
commit
|
commitdiff
|
tree
2016-08-15
M
a
rk Abraham
Mer
g
e branch rel
e
a
se-2016
commit
|
commitdiff
|
tree
2016-08-15
Mark Ab
r
ah
a
m
Fixes for BG/Q platform
f
ile
s
and in
s
t
a
ll guide
commit
|
commitdiff
|
tree
2016-08-12
M
a
rk A
b
raham
Bum
p
number to prepare for firs
t
patch release
commit
|
commitdiff
|
tree
2016-08-04
Mark Abra
h
am
V
e
r
sion 2016
commit
|
commitdiff
|
tree
2016-07-29
Ma
r
k Abraham
Improve h
a
ndling o
f
g
mock and g
c
c6
commit
|
commitdiff
|
tree
2016-07-29
Mark Abraha
m
Merge branch release-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-07-28
Mark A
b
r
a
ham
Ad
d
tool
c
hain flags
for SSE2 compi
l
ation
commit
|
commitdiff
|
tree
2016-07-21
Mark
A
braham
Bumped patch n
u
mb
e
r to prepare
for future 5
.
1
.
4 r
e
lease
commit
|
commitdiff
|
tree
2016-07-14
Mark Abraham
Fix issues
w
ith us
i
ng int f
o
r number of
s
teps
commit
|
commitdiff
|
tree
2016-07-13
M
a
rk Abraham
Version
5
.
1
.
3
commit
|
commitdiff
|
tree
next