Example #1
0
import numpy as np
import pymctdh

if __name__ == "__main__":

    nel = 2
    nmodes = 2
    nspfs = np.array([[10, 10], [8, 8]], dtype=int)
    npbfs = [[18, 28], [18, 14]]

    pbfs = list()
    mode1 = [['ho', npbfs[0][0], 1.0, 1.0], ['ho', npbfs[0][1], 1.0, 1.0]]
    mode2 = [['ho', npbfs[1][0], 1.0, 1.0], ['ho', npbfs[1][1], 1.0, 1.0]]
    pbfs.append(pymctdh.PBasis(mode1, combined=True, sparse=True))
    pbfs.append(pymctdh.PBasis(mode2, combined=True, sparse=True))

    wf = pymctdh.Wavefunction(nel, nmodes, nspfs, npbfs)
    wf.generate_ic(1)

    w10a = 0.09357
    w6a = 0.0740
    w1 = 0.1273
    w9a = 0.1568
    delta = 0.46165
    lamda = 0.1825
    k6a1 = -0.0964
    k6a2 = 0.1194
    k11 = 0.0470
    k12 = 0.2012
    k9a1 = 0.1594
    k9a2 = 0.0484
import numpy as np
import pymctdh

if __name__ == "__main__":

    nel = 2
    nmodes = 4
    nspfs = np.array([[7, 12, 6, 5], [7, 12, 6, 5]], dtype=int)
    npbfs = np.array([22, 32, 21, 12], dtype=int)

    pbfs = list()
    pbfs.append(pymctdh.PBasis(['ho', 22, 1.0, 1.0]))
    pbfs.append(pymctdh.PBasis(['ho', 32, 1.0, 1.0]))
    pbfs.append(pymctdh.PBasis(['ho', 21, 1.0, 1.0], sparse=True))
    pbfs.append(pymctdh.PBasis(['ho', 12, 1.0, 1.0], sparse=True))

    wf = pymctdh.Wavefunction(nel, nmodes, nspfs, npbfs)
    wf.generate_ic(1)

    w10a = 0.09357
    w6a = 0.0740
    w1 = 0.1273
    w9a = 0.1568
    delta = 0.46165
    lamda = 0.1825
    k6a1 = -0.0964
    k6a2 = 0.1194
    k11 = 0.0470
    k12 = 0.2012
    k9a1 = 0.1594
    k9a2 = 0.0484
Example #3
0
import numpy as np
import pymctdh

if __name__ == "__main__":

    nel = 2
    nmodes = 4
    nspfs = np.array([[7, 12, 6, 5], [7, 12, 6, 5]], dtype=int)
    npbfs = np.array([22, 32, 21, 12], dtype=int)

    pbfs = list()
    pbfs.append(pymctdh.PBasis(['ho', 22, 1.0, 1.0]))
    pbfs.append(pymctdh.PBasis(['ho', 32, 1.0, 1.0]))
    pbfs.append(pymctdh.PBasis(['ho', 21, 1.0, 1.0]))
    pbfs.append(pymctdh.PBasis(['ho', 12, 1.0, 1.0]))

    wf = pymctdh.Wavefunction(nel, nmodes, nspfs, npbfs)
    wf.generate_ic(1)

    w10a = 0.09357
    w6a = 0.0740
    w1 = 0.1273
    w9a = 0.1568
    delta = 0.46165
    lamda = 0.1825
    k6a1 = -0.0964
    k6a2 = 0.1194
    k11 = 0.0470
    k12 = 0.2012
    k9a1 = 0.1594
    k9a2 = 0.0484