#include "cp_common_uses.h"
Include dependency graph for force_fields_input.f90:
Go to the source code of this file.
Namespaces | |
| namespace | force_fields_input |
Functions | |
| subroutine | force_fields_input::read_force_field_section1 (ff_section, mm_section, ff_type, para_env, error) |
| Reads the force_field input section. | |
| subroutine | force_fields_input::set_IPBV_ff (at1, at2, ipbv) |
| Set up of the IPBV force fields. | |
| subroutine | force_fields_input::set_BMHFT_ff (at1, at2, ft, error) |
| Set up of the BMHFT force fields. | |
| subroutine | force_fields_input::set_BMHFTD_ff (at1, at2, ftd, error) |
| Set up of the BMHFTD force fields. | |
| subroutine | force_fields_input::read_eam_section (nonbonded, section, start, para_env, mm_section, error) |
| Reads the EAM section. | |
| subroutine, public | force_fields_input::read_lj_section (nonbonded, section, start, error) |
| Reads the LJ section. | |
| subroutine, public | force_fields_input::read_wl_section (nonbonded, section, start, error) |
| Reads the WILLIAMS section. | |
| subroutine, public | force_fields_input::read_gd_section (nonbonded, section, start, error) |
| Reads the GOODWIN section. | |
| subroutine | force_fields_input::read_ipbv_section (nonbonded, section, start, error) |
| Reads the IPBV section. | |
| subroutine | force_fields_input::read_bmhft_section (nonbonded, section, start, error) |
| Reads the BMHFT section. | |
| subroutine | force_fields_input::read_bmhftd_section (nonbonded, section, start, error) |
| Reads the BMHFTD section. | |
| subroutine | force_fields_input::read_b4_section (nonbonded, section, start, error) |
| Reads the Buckingham 4 Ranges potential section. | |
| subroutine, public | force_fields_input::read_gp_section (nonbonded, section, start, error) |
| Reads the GENPOT - generic potential section. | |
| subroutine | force_fields_input::read_tersoff_section (nonbonded, section, start, tersoff_section, error) |
| Reads the tersoff section. | |
| subroutine | force_fields_input::read_siepmann_section (nonbonded, section, start, siepmann_section, error) |
| Reads the siepmann section. | |
| subroutine | force_fields_input::read_bm_section (nonbonded, section, start, error) |
| Reads the Buckingham plus Morse potential section. | |
| subroutine, public | force_fields_input::read_chrg_section (charge_atm, charge, section, start, error) |
| Reads the CHARGE section. | |
| subroutine | force_fields_input::read_apol_section (apol_atm, apol, damping_list, section, start, error) |
| Reads the POLARIZABILITY section. | |
| subroutine | force_fields_input::read_cpol_section (cpol_atm, cpol, section, start, error) |
| Reads the QUADRUPOLE POLARIZABILITY section. | |
| subroutine | force_fields_input::read_shell_section (shell_list, section, start, para_env, error) |
| Reads the SHELL section. | |
| subroutine | force_fields_input::read_bonds_section (bond_kind, bond_a, bond_b, bond_k, bond_r0, bond_cs, section, start, error) |
| Reads the BONDS section. | |
| subroutine | force_fields_input::read_bends_section (bend_kind, bend_a, bend_b, bend_c, bend_k, bend_theta0, bend_cb, bend_r012, bend_r032, bend_kbs12, bend_kbs32, bend_kss, section, start, error) |
| Reads the BENDS section. | |
| subroutine | force_fields_input::read_ubs_section (ub_kind, ub_a, ub_b, ub_c, ub_k, ub_r0, section, start, error) |
| subroutine | force_fields_input::read_torsions_section (torsion_kind, torsion_a, torsion_b, torsion_c, torsion_d, torsion_k, torsion_phi0, torsion_m, section, start, error) |
| Reads the TORSIONS section. | |
| subroutine | force_fields_input::read_improper_section (impr_kind, impr_a, impr_b, impr_c, impr_d, impr_k, impr_phi0, section, start, error) |
| Reads the IMPROPER section. | |
| subroutine | force_fields_input::read_opbend_section (opbend_kind, opbend_a, opbend_b, opbend_c, opbend_d, opbend_k, opbend_phi0, section, start, error) |
| Reads the OPBEND section. | |
| subroutine, public | force_fields_input::read_force_field_section (ff_type, para_env, mm_section, error) |
| Reads the force_field input section. | |
| subroutine | force_fields_input::read_eam_data (eam, para_env, mm_section, error) |
| reads EAM potential from library | |
Variables | |
| CHARACTER(len=*), parameter, private | force_fields_input::moduleN = 'force_fields_input' |
