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grompp: fix the -ref <file> option
2019-10-08
Prashanth Ka
n
duri
Fused
two if branche
s
wi
t
h the same conditio
n
al
commit
|
commitdiff
|
tree
2019-04-17
Prashanth
Kandur
i
Mov
e
sh
e
llf
c
code to the mdrun module
commit
|
commitdiff
|
tree
2019-03-27
Pr
a
shanth Kand
u
ri
Moving pu
t
_atom
s
_in_box_omp() to
p
bc
.
h
commit
|
commitdiff
|
tree
2019-03-27
P
r
asha
n
t
h
Kanduri
G
et
t
in
g
rid of use_GPU(nbv) fu
n
ct
i
on
commit
|
commitdiff
|
tree
2019-03-27
Prashanth
Ka
n
duri
Move stat f
u
nc
t
i
on decla
r
ati
o
n
s to a new stat
.
h
commit
|
commitdiff
|
tree
2019-03-19
Prashant
h
Kanduri
Move initialize_lambdas(
.
.
.
)
to
s
tate
commit
|
commitdiff
|
tree
2019-03-18
Prashanth Ka
n
duri
M
o
ving do
_
constrai
n
ts_fi
r
st(
.
.
.
) to co
n
str
.
h
commit
|
commitdiff
|
tree
2019-02-26
Pras
h
anth Kanduri
Mov
i
ng finis
h
_run(
.
.
.
) to runner
.
c
p
p
commit
|
commitdiff
|
tree
2019-02-25
Prashanth Kanduri
M
o
ving do_pbc_mto
p
(
.
.
.
) f
u
nct
i
o
ns to pbcutils from
.
.
.
commit
|
commitdiff
|
tree
2018-02-07
Prashanth Kanduri
Clea
n
ing up
d
o
_force_cutsVERLET
functio
n
from wal
l
cycle
.
.
.
commit
|
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|
tree