예제 #1
0
파일: PGBF.py 프로젝트: globulion/pyq-mod
def coulomb(gA,gB,gC,gD):
    """Coulomb interaction between four cartesian Gaussians; THO eq. 2.22"""
    return coulomb_repulsion(gA.origin,gA.norm,gA.powers,
                             gA.exp,gB.origin,gB.norm,
                             gB.powers,gB.exp,gC.origin,
                             gC.norm,gC.powers,gC.exp,
                             gD.origin,gD.norm,gD.powers,
                             gD.exp)
예제 #2
0
파일: PGBF.py 프로젝트: certik/pyquante
def coulomb(gA,gB,gC,gD):
    """Coulomb interaction between four cartesian Gaussians; THO eq. 2.22"""
    return coulomb_repulsion(gA._origin,gA._normalization,gA._powers,
                             gA._exponent,gB._origin,gB._normalization,
                             gB._powers,gB._exponent,gC._origin,
                             gC._normalization,gC._powers,gC._exponent,
                             gD._origin,gD._normalization,gD._powers,
                             gD._exponent)
예제 #3
0
파일: PGBF.py 프로젝트: globulion/pyq-mod
def coulomb(gA, gB, gC, gD):
    """Coulomb interaction between four cartesian Gaussians; THO eq. 2.22"""
    return coulomb_repulsion(gA.origin, gA.norm, gA.powers, gA.exp, gB.origin,
                             gB.norm, gB.powers, gB.exp, gC.origin, gC.norm,
                             gC.powers, gC.exp, gD.origin, gD.norm, gD.powers,
                             gD.exp)