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A Chen
E-CAM-Library
Commits
5429c8d3
Commit
5429c8d3
authored
Nov 23, 2020
by
A Chen
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Update readme.rst
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@@ -191,7 +191,7 @@ __________________________
This
module
is
intended
to
provide
a
parallel
program
for
general
wavepackage
propagation
.
The
general
capability
of
the
simulation
could
be
up
to
tens
of
degrees
of
freedom
.
The
propagation
time
could
be
up
to
hundreds
of
pic
osecond
with
general
computation
time
,
The
propagation
time
could
be
up
to
hundreds
of
femt
osecond
s
with
general
computation
time
,
according
to
the
selected
propagation
method
.
The
code
has
been
applied
for
the
simulation
of
Pyrazine
(:
math
:`
C_4H_4N_2
`),
which
is
of
24
degrees
of
freedom
.
This
module
could
be
a
practical
tool
for
general
quantum
molecular
simulation
,
supporting
the
further
study
of
...
...
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