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Searched refs:spline_env (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dsplines_types.F95 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 …]
H A Dpair_potential.F131 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
H A Dforce_fields_all.F3177 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)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dsplines_types.F95 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 …]
H A Dpair_potential.F131 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
H A Dforce_fields_all.F3177 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)