예제 #1
0
파일: dmft.py 프로젝트: kirkzzm/iqist
    hybf_t = grnf_t * part * part
    return numpy.reshape(hybf_t, size_t, order='F')


# get mpi communicator
comm = MPI.COMM_WORLD

# check the status of ctqmc impurity solver
if ctqmc.cat_solver_id() == 102:
    if comm.rank == 0:
        print "Hello world! This is the GARDENIA code."
else:
    if comm.rank == 0:
        print "Where is the GARDENIA code?"
    sys.exit(-1)
if ctqmc.cat_solver_status() != 1:
    print "I am sorry. This ctqmc impurity solver is not ready."
    sys.exit(-1)

# mpi barrier
comm.Barrier()

# setup parameters
mfreq = 8193  # number of matsubara frequency points
norbs = 6  # number of orbitals
niter = 20  # number of iterations
mune = 1.0  # initial chemical potential
occup = 1.8  # required occupation number
size_t = mfreq * norbs * norbs

# allocate memory
예제 #2
0
파일: dmft.py 프로젝트: pistonly/iqist
    part = 0.25
    hybf_t = grnf_t * part * part
    return numpy.reshape(hybf_t, size_t, order = 'F')

# get mpi communicator
comm = MPI.COMM_WORLD

# check the status of ctqmc impurity solver
if ctqmc.cat_solver_id() == 102:
    if comm.rank == 0 :
        print "Hello world! This is the GARDENIA code."
else:
    if comm.rank == 0 :
        print "Where is the GARDENIA code?"
    sys.exit(-1)
if ctqmc.cat_solver_status() != 1 :
    print "I am sorry. This ctqmc impurity solver is not ready."
    sys.exit(-1)

# mpi barrier
comm.Barrier()

# setup parameters
mfreq = 8193 # number of matsubara frequency points
norbs = 6    # number of orbitals
niter = 20   # number of iterations
mune  = 1.0  # initial chemical potential
occup = 1.1  # required occupation number
size_t = mfreq * norbs * norbs

# allocate memory