Searched refs:spline_env (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | splines_types.F | 95 IF (ASSOCIATED(spline_env)) THEN 97 spline_env%ref_count = spline_env%ref_count - 1 105 DEALLOCATE (spline_env) 212 CPASSERT(ASSOCIATED(spline_env)) 213 CPASSERT(spline_env%ref_count > 0) 214 spline_env%ref_count = spline_env%ref_count + 1 239 ALLOCATE (spline_env) 240 NULLIFY (spline_env%spl_pp) 241 NULLIFY (spline_env%spltab) 242 spline_env%ref_count = 1 [all …]
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H A D | pair_potential.F | 131 SUBROUTINE spline_nonbond_control(spline_env, potparm, atomic_kind_set, & argument 135 TYPE(spline_environment_type), POINTER :: spline_env local 209 n = spline_env%spltab(i, j) 224 CALL generate_spline_low(spline_env%spl_pp(n)%spl_p, npoints_spline, locut, & 252 "SPLINE_INFO| Number of pair potential splines allocated: ", MAXVAL(spline_env%spltab) 256 … "SPLINE_INFO| Number of unique splines computed: ", MAXVAL(spline_env%spltab), & 553 SUBROUTINE get_nonbond_storage(spline_env, potparm, atomic_kind_set, do_zbl, & argument 556 TYPE(spline_environment_type), POINTER :: spline_env local 897 CALL spline_env_create(spline_env, ntype, nunique) 898 spline_env%spltab = tmp_index
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H A D | force_fields_all.F | 3177 TYPE(spline_environment_type), POINTER :: spline_env local 3182 NULLIFY (spline_env) 3183 CALL get_nonbond_storage(spline_env, potparm, atomic_kind_set, & 3186 CALL spline_nonbond_control(spline_env, potparm, & 3196 n = spline_env%spltab(ikind, jkind) 3197 spl_p => spline_env%spl_pp(n)%spl_p 3203 CALL spline_env_release(spline_env)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | splines_types.F | 95 IF (ASSOCIATED(spline_env)) THEN 97 spline_env%ref_count = spline_env%ref_count - 1 105 DEALLOCATE (spline_env) 212 CPASSERT(ASSOCIATED(spline_env)) 213 CPASSERT(spline_env%ref_count > 0) 214 spline_env%ref_count = spline_env%ref_count + 1 239 ALLOCATE (spline_env) 240 NULLIFY (spline_env%spl_pp) 241 NULLIFY (spline_env%spltab) 242 spline_env%ref_count = 1 [all …]
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H A D | pair_potential.F | 131 SUBROUTINE spline_nonbond_control(spline_env, potparm, atomic_kind_set, & argument 135 TYPE(spline_environment_type), POINTER :: spline_env local 209 n = spline_env%spltab(i, j) 224 CALL generate_spline_low(spline_env%spl_pp(n)%spl_p, npoints_spline, locut, & 252 "SPLINE_INFO| Number of pair potential splines allocated: ", MAXVAL(spline_env%spltab) 256 … "SPLINE_INFO| Number of unique splines computed: ", MAXVAL(spline_env%spltab), & 553 SUBROUTINE get_nonbond_storage(spline_env, potparm, atomic_kind_set, do_zbl, & argument 556 TYPE(spline_environment_type), POINTER :: spline_env local 897 CALL spline_env_create(spline_env, ntype, nunique) 898 spline_env%spltab = tmp_index
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H A D | force_fields_all.F | 3177 TYPE(spline_environment_type), POINTER :: spline_env local 3182 NULLIFY (spline_env) 3183 CALL get_nonbond_storage(spline_env, potparm, atomic_kind_set, & 3186 CALL spline_nonbond_control(spline_env, potparm, & 3196 n = spline_env%spltab(ikind, jkind) 3197 spl_p => spline_env%spl_pp(n)%spl_p 3203 CALL spline_env_release(spline_env)
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