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Remove unnecessary #if GMX_MPI in pme code
2019-06-20
Berk
Hess
Re
m
ove unnecess
a
ry #if GMX
_
MPI
in
p
me code
commit
|
commitdiff
|
tree
2019-03-01
Szilárd Páll
Clarify
force buffer set
u
p code
in do
_
fo
r
ce
commit
|
commitdiff
|
tree
2019-02-27
M
a
rk Abraham
Remove minor broken functionality in gmx bar
commit
|
commitdiff
|
tree
2019-02-27
Berk Hess
C
o
ll
e
ct dispersion correctio
n
code
commit
|
commitdiff
|
tree
2019-02-21
Pau
l
Bauer
R
e
factor t_molinfo to MoleculeInform
a
tion
c
lass
commit
|
commitdiff
|
tree
2019-01-30
Szil
á
rd
Páll
Fix double-i
n
crement of GPU
NB
l
au
n
ch subcounter
commit
|
commitdiff
|
tree
2018-11-08
Paul B
a
uer
Give
err
o
r w
h
e
n
reru
n
with iden
t
ical file
n
ames
commit
|
commitdiff
|
tree
2018-11-08
Berk Hess
Fix
b
u
g
with DD for dims without PBC
commit
|
commitdiff
|
tree
2018-11-01
Pau
l
B
a
uer
Pro
p
e
rly de
f
ine Bromine in amber forcefi
e
lds
commit
|
commitdiff
|
tree
2018-10-23
Joe Jordan
Properly attribute wo
r
k and use correct dates for bi
n
aryi
n
fo
.
.
.
commit
|
commitdiff
|
tree
2018-09-13
Roland
S
chulz
Remove useless co
m
ment
s
commit
|
commitdiff
|
tree
2018-09-07
Roland S
c
hulz
Simplify
Allocator
commit
|
commitdiff
|
tree
2018-09-03
Paul Bauer
Allow documentation to bui
l
d in pa
r
allel
commit
|
commitdiff
|
tree
2017-10-03
M
agnus Lundborg
Wr
i
te atom mass
e
s and partial charges
to TNG
commit
|
commitdiff
|
tree
2014-07-01
Teemu Mu
r
tola
Adjust
i
nclude direct
o
r
y order for some cor
n
er cas
e
s
commit
|
commitdiff
|
tree