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Searched refs:ewald_gks (Results 1 – 22 of 22) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/tests/SE/regtest/
H A DTEST_FILES_RESET379 ice-scp-ewald_gks.inp
463 ice-scp-ewald_gks.inp
473 ice-scp-ewald_gks.inp
493 ice-scp-ewald_gks.inp
513 ice-scp-ewald_gks.inp
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dse_core_core.F145 CALL ewald_env_get(ewald_env, alpha=se_int_control%ewald_gks%alpha)
146 CALL ewald_pw_get(ewald_pw, pw_big_pool=se_int_control%ewald_gks%pw_pool, &
147 dg=se_int_control%ewald_gks%dg)
H A Dsemi_empirical_int_gks.F593 alpha = se_int_control%ewald_gks%alpha
594 pw_pool => se_int_control%ewald_gks%pw_pool
595 dg => se_int_control%ewald_gks%dg
812 alpha = se_int_control%ewald_gks%alpha
813 pw_pool => se_int_control%ewald_gks%pw_pool
814 dg => se_int_control%ewald_gks%dg
1182 alpha = se_int_control%ewald_gks%alpha
1183 pw_pool => se_int_control%ewald_gks%pw_pool
1184 dg => se_int_control%ewald_gks%dg
H A Dsemi_empirical_types.F141 TYPE(ewald_gks_type) :: ewald_gks component
591 NULLIFY (se_int_control%ewald_gks%dg, se_int_control%ewald_gks%pw_pool)
H A Dse_fock_matrix_coulomb.F188 CALL ewald_env_get(ewald_env, alpha=se_int_control%ewald_gks%alpha)
189 CALL ewald_pw_get(ewald_pw, pw_big_pool=se_int_control%ewald_gks%pw_pool, &
190 dg=se_int_control%ewald_gks%dg)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dse_core_core.F145 CALL ewald_env_get(ewald_env, alpha=se_int_control%ewald_gks%alpha)
146 CALL ewald_pw_get(ewald_pw, pw_big_pool=se_int_control%ewald_gks%pw_pool, &
147 dg=se_int_control%ewald_gks%dg)
H A Dsemi_empirical_int_gks.F593 alpha = se_int_control%ewald_gks%alpha
594 pw_pool => se_int_control%ewald_gks%pw_pool
595 dg => se_int_control%ewald_gks%dg
812 alpha = se_int_control%ewald_gks%alpha
813 pw_pool => se_int_control%ewald_gks%pw_pool
814 dg => se_int_control%ewald_gks%dg
1182 alpha = se_int_control%ewald_gks%alpha
1183 pw_pool => se_int_control%ewald_gks%pw_pool
1184 dg => se_int_control%ewald_gks%dg
H A Dsemi_empirical_types.F141 TYPE(ewald_gks_type) :: ewald_gks component
591 NULLIFY (se_int_control%ewald_gks%dg, se_int_control%ewald_gks%pw_pool)
H A Dse_fock_matrix_coulomb.F188 CALL ewald_env_get(ewald_env, alpha=se_int_control%ewald_gks%alpha)
189 CALL ewald_pw_get(ewald_pw, pw_big_pool=se_int_control%ewald_gks%pw_pool, &
190 dg=se_int_control%ewald_gks%dg)
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-lsroks/
H A DTEST_FILES_RESET52 ice-scp-ewald_gks.inp
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-md-extrap/
H A DTEST_FILES_RESET80 ice-scp-ewald_gks.inp
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-spin-spin-1/
H A DTEST_FILES_RESET104 ice-scp-ewald_gks.inp
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-gapw-1/
H A DTEST_FILES_RESET138 ice-scp-ewald_gks.inp
/dports/science/cp2k-data/cp2k-7.1.0/tests/QMMM/SE/regtest_2/
H A DTEST_FILES_RESET215 ice-scp-ewald_gks.inp
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-gapw-3/
H A DTEST_FILES_RESET290 ice-scp-ewald_gks.inp
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-gapw-4/
H A DTEST_FILES_RESET284 ice-scp-ewald_gks.inp
/dports/science/cp2k-data/cp2k-7.1.0/tests/QMMM/QS/regtest-4/
H A DTEST_FILES_RESET277 ice-scp-ewald_gks.inp
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-gpw-5/
H A DTEST_FILES_RESET435 ice-scp-ewald_gks.inp
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-nmr-5/
H A DTEST_FILES_RESET414 ice-scp-ewald_gks.inp
/dports/science/cp2k-data/cp2k-7.1.0/tests/SE/regtest-2-1/
H A DTEST_FILES_RESET463 ice-scp-ewald_gks.inp
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-ot-2/
H A DTEST_FILES_RESET998 ice-scp-ewald_gks.inp
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-gpw-4/
H A DTEST_FILES_RESET927 ice-scp-ewald_gks.inp