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https://gitlab.com/scemama/eplf
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eplf_edit
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@ -103,29 +103,6 @@ class GridEditor(Editor):
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self.opposite = self.inp.opposite
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self.step_size = self.inp.step_size
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self.point_num = self.inp.point_num
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# if self.origin is None:
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# self.origin = [ 0., 0., 0. ]
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# for l in xrange(3):
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# self.origin[l] = self.inp.nucl_coord[l][1]
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# for i in self.inp.nucl_coord[l]:
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# self.origin[l] = min(self.origin[l],i)
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# self.origin[l] -= 4.
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# if self.opposite is None:
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# self.opposite = [ 0., 0., 0. ]
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# for l in xrange(3):
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# self.opposite[l] = self.inp.nucl_coord[l][1]
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# for i in self.inp.nucl_coord[l]:
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# self.opposite[l] = max(self.opposite[l],i)
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# self.opposite[l] += 4.
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# if self.step_size is None:
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# self.step_size = [ 0., 0., 0. ]
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# for l in xrange(3):
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# self.step_size[l] = (self.opposite[l] - self.origin[l])/float(self.point_num[l])
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# self.inp.point_num = self.point_num
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# self.inp.origin = self.origin
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# self.inp.opposite = self.opposite
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# self.inp.step_size = self.step_size
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edit_temp_file(self.inp,self.write_grid_file,self.read_grid_file)
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def write_grid_file(self,file,inp):
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@ -291,7 +268,7 @@ $RUNCOMMAND
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""".lstrip()
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command = "${EPLF_PATH}/bin/eplf %s"%(inp.name)
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if inp.has_mpi:
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command = "${MPIRUN} -np %d "%(inp.nproc)+command
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command = "${EPLF_MPIRUN} -np %d "%(inp.nproc)+command
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buffer = buffer.replace("$RUNCOMMAND",command)
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print >>file, buffer
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file.close()
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