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subroutine, public | lri_integrals::lri_int (lri_env, lrii, rab, obasa, obasb, fbasa, fbasb, iatom, jatom, ikind, jkind, calculate_forces) |
| calcuates the lri integrals using solid harmonic Gaussians More...
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subroutine, public | lri_integrals::lri_int2 (lri_env, lrii, lriint, rab, obasa, obasb, fbasa, fbasb, iatom, jatom, ikind, jkind) |
| calcuates the lri integrals using solid harmonic Gaussians More...
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subroutine, public | lri_integrals::lri_dint (lri_env, lrii, rab, obasa, obasb, fbasa, fbasb, iatom, jatom, ikind, jkind, calculate_forces) |
| ... More...
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subroutine, public | lri_integrals::lri_dint2 (lri_env, lrii, lridint, rab, obasa, obasb, fbasa, fbasb, iatom, jatom, ikind, jkind) |
| ... More...
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subroutine, public | lri_integrals::allocate_int_type (lriint, lridint, nba, nbb, nfa, nfb, skip_sab, skip_soo, skip_aba, skip_abb, skip_dsab, skip_dsoo, skip_daba, skip_dabb) |
| ... More...
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subroutine, public | lri_integrals::deallocate_int_type (lriint, lridint) |
| ... More...
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