git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13986 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2015-09-02 20:41:38 +00:00
parent fbf69990db
commit ae980d6fd1
3 changed files with 11 additions and 8 deletions

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@ -85,7 +85,7 @@ it gives quick access to documentation for all LAMMPS commands.
.. toctree::
:maxdepth: 2
:numbered:
:numbered: // comment
Section_intro
Section_start
@ -105,8 +105,8 @@ it gives quick access to documentation for all LAMMPS commands.
Indices and tables
==================
* :ref:`genindex`
* :ref:`search`
* :ref:`genindex` // comment
* :ref:`search` // comment
END_RST -->

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@ -2,6 +2,6 @@
# The default settings assume that HDF5 support is integrated into the standard
# distribution and search paths and thus only needs to link the HDF5 library.
ch5md_SYSINC =
ch5md_SYSLIB = -lhdf5
ch5md_SYSPATH =
h5md_SYSINC =
h5md_SYSLIB = -lhdf5
h5md_SYSPATH =

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@ -29,11 +29,11 @@ class lammps:
try:
if not name: self.lib = CDLL(join(modpath,"liblammps.so"),RTLD_GLOBAL)
else: self.lib = CDLL(join(modpath,"/liblammps_%s.so" % name),RTLD_GLOBAL)
else: self.lib = CDLL(join(modpath,"liblammps_%s.so" % name),RTLD_GLOBAL)
except:
type,value,tb = sys.exc_info()
traceback.print_exception(type,value,tb)
raise OSError,"Could not load LAMMPS dynamic library"
raise OSError,"Could not load LAMMPS dynamic library from %s" % modpath
# if no ptr provided, create an instance of LAMMPS
# don't know how to pass an MPI communicator from PyPar
@ -70,6 +70,9 @@ class lammps:
if self.opened: self.lib.lammps_close(self.lmp)
self.lmp = None
def version(self):
return self.lib.lammps_version(self.lmp)
def file(self,file):
self.lib.lammps_file(self.lmp,file)