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

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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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6
doc/Manual.txt
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@ -85,7 +85,7 @@ it gives quick access to documentation for all LAMMPS commands.
.. toctree:: .. toctree::
:maxdepth: 2 :maxdepth: 2
:numbered: :numbered: // comment
Section_intro Section_intro
Section_start Section_start
@ -105,8 +105,8 @@ it gives quick access to documentation for all LAMMPS commands.
Indices and tables Indices and tables
================== ==================
* :ref:`genindex` * :ref:`genindex` // comment
* :ref:`search` * :ref:`search` // comment
END_RST --> END_RST -->

6
lib/h5md/Makefile.lammps.empty
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@ -2,6 +2,6 @@
# The default settings assume that HDF5 support is integrated into the standard # 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. # distribution and search paths and thus only needs to link the HDF5 library.
ch5md_SYSINC = h5md_SYSINC =
ch5md_SYSLIB = -lhdf5 h5md_SYSLIB = -lhdf5
ch5md_SYSPATH = h5md_SYSPATH =

7
python/lammps.py
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@ -29,11 +29,11 @@ class lammps:
try: try:
if not name: self.lib = CDLL(join(modpath,"liblammps.so"),RTLD_GLOBAL) 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: except:
type,value,tb = sys.exc_info() type,value,tb = sys.exc_info()
traceback.print_exception(type,value,tb) 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 # if no ptr provided, create an instance of LAMMPS
# don't know how to pass an MPI communicator from PyPar # 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) if self.opened: self.lib.lammps_close(self.lmp)
self.lmp = None self.lmp = None
def version(self):
return self.lib.lammps_version(self.lmp)
def file(self,file): def file(self,file):
self.lib.lammps_file(self.lmp,file) self.lib.lammps_file(self.lmp,file)