| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | ewald_pw_methods.F | 81 NULLIFY (pw_big_pool)
96 CALL ewald_pw_get(ewald_pw, pw_big_pool=pw_big_pool, &
98 CALL pw_grid_change(cell_hmat, pw_big_pool%pw_grid)
101 CALL ewald_pw_set(ewald_pw, pw_big_pool=pw_big_pool, dg=dg, &
104 CALL ewald_pw_get(ewald_pw, pw_big_pool=pw_big_pool, &
111 CALL pw_grid_change(cell_hmat, pw_big_pool%pw_grid)
114 CALL ewald_pw_set(ewald_pw, pw_big_pool=pw_big_pool, &
118 CALL ewald_pw_get(ewald_pw, pw_big_pool=pw_big_pool, &
123 CALL pw_grid_change(cell_hmat, pw_big_pool%pw_grid)
124 CALL ewald_pw_set(ewald_pw, pw_big_pool=pw_big_pool, &
[all …]
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| H A D | ewald_pw_types.F | 110 NULLIFY (ewald_pw%pw_big_pool)
228 ewald_pw%pw_big_pool => pw_pool
229 CALL pw_pool_retain(ewald_pw%pw_big_pool)
268 ewald_pw%pw_big_pool => pw_pool
269 CALL pw_pool_retain(ewald_pw%pw_big_pool)
313 ewald_pw%pw_big_pool => pw_pool
342 pw_pools(1)%pool => ewald_pw%pw_big_pool
377 IF (PRESENT(pw_big_pool)) pw_big_pool => ewald_pw%pw_big_pool
407 IF (PRESENT(pw_big_pool)) THEN
408 CALL pw_pool_retain(pw_big_pool)
[all …]
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| H A D | pme.F | 136 CALL ewald_pw_get(ewald_pw, pw_big_pool=pw_big_pool, &
140 grid_b => pw_big_pool%pw_grid
244 CALL pw_pool_create_pw(pw_big_pool, dphi_g(i)%pw, &
248 CALL pw_pool_create_pw(pw_big_pool, phi_r, &
290 CALL pw_pool_create_pw(pw_big_pool, phi_g, &
293 CALL pw_pool_create_pw(pw_big_pool, rhob_g, &
332 CALL pw_pool_give_back_pw(pw_big_pool, phi_g)
333 CALL pw_pool_give_back_pw(pw_big_pool, rhob_g)
338 CALL pw_pool_give_back_pw(pw_big_pool, phi_r)
363 CALL pw_pool_give_back_pw(pw_big_pool, dphi_g(i)%pw)
[all …]
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| H A D | spme.F | 138 CALL ewald_pw_get(ewald_pw, pw_big_pool=pw_pool, rs_desc=rs_desc, &
494 CALL ewald_pw_get(ewald_pw, pw_big_pool=pw_pool, rs_desc=rs_desc, poisson_env=poisson_env)
632 CALL ewald_pw_get(ewald_pw, pw_big_pool=pw_pool, rs_desc=rs_desc, poisson_env=poisson_env)
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| H A D | se_core_core.F | 146 CALL ewald_pw_get(ewald_pw, pw_big_pool=se_int_control%ewald_gks%pw_pool, &
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| H A D | ewald_methods_tb.F | 123 CALL ewald_pw_get(ewald_pw, pw_big_pool=pw_pool, rs_desc=rs_desc, &
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| H A D | ewalds.F | 126 CALL ewald_pw_get(ewald_pw, pw_big_pool=pw_pool, dg=dg)
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| H A D | se_fock_matrix_coulomb.F | 189 CALL ewald_pw_get(ewald_pw, pw_big_pool=se_int_control%ewald_gks%pw_pool, &
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| H A D | ewalds_multipole.F | 696 CALL ewald_pw_get(ewald_pw, pw_big_pool=pw_pool, dg=dg)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | ewald_pw_methods.F | 81 NULLIFY (pw_big_pool)
96 CALL ewald_pw_get(ewald_pw, pw_big_pool=pw_big_pool, &
98 CALL pw_grid_change(cell_hmat, pw_big_pool%pw_grid)
101 CALL ewald_pw_set(ewald_pw, pw_big_pool=pw_big_pool, dg=dg, &
104 CALL ewald_pw_get(ewald_pw, pw_big_pool=pw_big_pool, &
111 CALL pw_grid_change(cell_hmat, pw_big_pool%pw_grid)
114 CALL ewald_pw_set(ewald_pw, pw_big_pool=pw_big_pool, &
118 CALL ewald_pw_get(ewald_pw, pw_big_pool=pw_big_pool, &
123 CALL pw_grid_change(cell_hmat, pw_big_pool%pw_grid)
124 CALL ewald_pw_set(ewald_pw, pw_big_pool=pw_big_pool, &
[all …]
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| H A D | ewald_pw_types.F | 110 NULLIFY (ewald_pw%pw_big_pool)
228 ewald_pw%pw_big_pool => pw_pool
229 CALL pw_pool_retain(ewald_pw%pw_big_pool)
268 ewald_pw%pw_big_pool => pw_pool
269 CALL pw_pool_retain(ewald_pw%pw_big_pool)
313 ewald_pw%pw_big_pool => pw_pool
342 pw_pools(1)%pool => ewald_pw%pw_big_pool
377 IF (PRESENT(pw_big_pool)) pw_big_pool => ewald_pw%pw_big_pool
407 IF (PRESENT(pw_big_pool)) THEN
408 CALL pw_pool_retain(pw_big_pool)
[all …]
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| H A D | pme.F | 136 CALL ewald_pw_get(ewald_pw, pw_big_pool=pw_big_pool, &
140 grid_b => pw_big_pool%pw_grid
244 CALL pw_pool_create_pw(pw_big_pool, dphi_g(i)%pw, &
248 CALL pw_pool_create_pw(pw_big_pool, phi_r, &
290 CALL pw_pool_create_pw(pw_big_pool, phi_g, &
293 CALL pw_pool_create_pw(pw_big_pool, rhob_g, &
332 CALL pw_pool_give_back_pw(pw_big_pool, phi_g)
333 CALL pw_pool_give_back_pw(pw_big_pool, rhob_g)
338 CALL pw_pool_give_back_pw(pw_big_pool, phi_r)
363 CALL pw_pool_give_back_pw(pw_big_pool, dphi_g(i)%pw)
[all …]
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| H A D | spme.F | 138 CALL ewald_pw_get(ewald_pw, pw_big_pool=pw_pool, rs_desc=rs_desc, &
494 CALL ewald_pw_get(ewald_pw, pw_big_pool=pw_pool, rs_desc=rs_desc, poisson_env=poisson_env)
632 CALL ewald_pw_get(ewald_pw, pw_big_pool=pw_pool, rs_desc=rs_desc, poisson_env=poisson_env)
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| H A D | se_core_core.F | 146 CALL ewald_pw_get(ewald_pw, pw_big_pool=se_int_control%ewald_gks%pw_pool, &
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| H A D | ewald_methods_tb.F | 123 CALL ewald_pw_get(ewald_pw, pw_big_pool=pw_pool, rs_desc=rs_desc, &
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| H A D | ewalds.F | 126 CALL ewald_pw_get(ewald_pw, pw_big_pool=pw_pool, dg=dg)
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| H A D | se_fock_matrix_coulomb.F | 189 CALL ewald_pw_get(ewald_pw, pw_big_pool=se_int_control%ewald_gks%pw_pool, &
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| H A D | ewalds_multipole.F | 693 CALL ewald_pw_get(ewald_pw, pw_big_pool=pw_pool, dg=dg)
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