Go to the source code of this file.
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module | spme |
| Calculate the electrostatic energy by the Smooth Particle Ewald method.
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subroutine, public | spme::spme_evaluate (ewald_env, ewald_pw, box, particle_set, fg_coulomb, vg_coulomb, pv_g, shell_particle_set, core_particle_set, fgshell_coulomb, fgcore_coulomb, use_virial, charges, atprop) |
| ... More...
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subroutine, public | spme::spme_potential (ewald_env, ewald_pw, box, particle_set_a, charges_a, particle_set_b, potential) |
| Calculate the electrostatic potential from particles A (charge A) at positions of particles B. More...
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subroutine, public | spme::spme_forces (ewald_env, ewald_pw, box, particle_set_a, charges_a, particle_set_b, charges_b, forces_b) |
| Calculate the forces on particles B for the electrostatic interaction betrween particles A and B. More...
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