ICODE-ADC/lammps
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Merge branch 'master' into lammps-icms

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Resolved Conflicts:
	src/REPLICA/verlet_split.cpp
	src/USER-OMP/fix_omp.cpp
This commit is contained in:
Axel Kohlmeyer
2012-10-26 09:50:01 -04:00
parent 3930d66dfb 8663c92293
commit 5a75a6c827
25 changed files with 1511 additions and 1821 deletions
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12
python/lammps.py
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@ -24,8 +24,8 @@ class lammps:
# if name = "g++", load liblammps_g++.so
try:
if not name: self.lib = CDLL("liblammps.so")
else: self.lib = CDLL("liblammps_%s.so" % name)
if not name: self.lib = CDLL("liblammps.so",RTLD_GLOBAL)
else: self.lib = CDLL("liblammps_%s.so" % name,RTLD_GLOBAL)
except:
type,value,tb = sys.exc_info()
traceback.print_exception(type,value,tb)
@ -89,11 +89,11 @@ class lammps:
self.lib.lammps_extract_compute.restype = POINTER(c_double)
ptr = self.lib.lammps_extract_compute(self.lmp,id,style,type)
return ptr[0]
elif type == 1:
if type == 1:
self.lib.lammps_extract_compute.restype = POINTER(c_double)
ptr = self.lib.lammps_extract_compute(self.lmp,id,style,type)
return ptr
elif type == 2:
if type == 2:
self.lib.lammps_extract_compute.restype = POINTER(POINTER(c_double))
ptr = self.lib.lammps_extract_compute(self.lmp,id,style,type)
return ptr
@ -110,11 +110,11 @@ class lammps:
result = ptr[0]
self.lib.lammps_free(ptr)
return result
elif type == 1:
if type == 1:
self.lib.lammps_extract_fix.restype = POINTER(c_double)
ptr = self.lib.lammps_extract_fix(self.lmp,id,style,type,i,j)
return ptr
elif type == 2:
if type == 2:
self.lib.lammps_extract_fix.restype = POINTER(POINTER(c_double))
ptr = self.lib.lammps_extract_fix(self.lmp,id,style,type,i,j)
return ptr