pytdscf.potentials package

Submodules

pytdscf.potentials.c10h12_local_potential module

pytdscf.potentials.c12h14_local_potential module

pytdscf.potentials.c14h16_local_potential module

pytdscf.potentials.c2h4_potential module

pytdscf.potentials.c4h6_local_dipole module

pytdscf.potentials.c4h6_local_potential module

pytdscf.potentials.c6h8_local_dipole module

pytdscf.potentials.c6h8_local_potential module

pytdscf.potentials.c6h8_potential module

pytdscf.potentials.c8h10_local_potential module

pytdscf.potentials.ch2o_dipole module

pytdscf.potentials.ch2o_potential module

pytdscf.potentials.h2o_dipole module

pytdscf.potentials.h2o_potential module

H2O 3MR 4th order Taylor PES in b3lyp/cc-pvdz

pytdscf.potentials.wat3_dipole module

pytdscf.potentials.wat3_potential module

from prop_no1.mop

pytdscf.potentials.wat6_dipole module

pytdscf.potentials.wat6_potential module

Module contents

Potential Example 3MR 4th order Taylor PES B3LYP/cc-pvdz