/dports/science/cp2k-data/cp2k-7.1.0/tests/SE/regtest/ |
H A D | TEST_FILES_RESET | 379 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 537 ice-scp-ewald_gks.inp 547 ice-scp-ewald_gks.inp 586 ice-scp-ewald_gks.inp 602 ice-scp-ewald_gks.inp 715 ice-scp-ewald_gks.inp [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | se_core_core.F | 145 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)
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H A D | semi_empirical_int_gks.F | 593 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
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H A D | semi_empirical_types.F | 141 TYPE(ewald_gks_type) :: ewald_gks component 591 NULLIFY (se_int_control%ewald_gks%dg, se_int_control%ewald_gks%pw_pool)
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H A D | se_fock_matrix_coulomb.F | 188 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)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | se_core_core.F | 145 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)
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H A D | semi_empirical_int_gks.F | 593 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
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H A D | semi_empirical_types.F | 141 TYPE(ewald_gks_type) :: ewald_gks component 591 NULLIFY (se_int_control%ewald_gks%dg, se_int_control%ewald_gks%pw_pool)
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H A D | se_fock_matrix_coulomb.F | 188 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)
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-lsroks/ |
H A D | TEST_FILES_RESET | 52 ice-scp-ewald_gks.inp
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-md-extrap/ |
H A D | TEST_FILES_RESET | 80 ice-scp-ewald_gks.inp
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-spin-spin-1/ |
H A D | TEST_FILES_RESET | 104 ice-scp-ewald_gks.inp
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-gapw-1/ |
H A D | TEST_FILES_RESET | 138 ice-scp-ewald_gks.inp
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QMMM/SE/regtest_2/ |
H A D | TEST_FILES_RESET | 215 ice-scp-ewald_gks.inp
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-gapw-3/ |
H A D | TEST_FILES_RESET | 290 ice-scp-ewald_gks.inp
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-gapw-4/ |
H A D | TEST_FILES_RESET | 284 ice-scp-ewald_gks.inp
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QMMM/QS/regtest-4/ |
H A D | TEST_FILES_RESET | 277 ice-scp-ewald_gks.inp
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-gpw-5/ |
H A D | TEST_FILES_RESET | 435 ice-scp-ewald_gks.inp
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-nmr-5/ |
H A D | TEST_FILES_RESET | 414 ice-scp-ewald_gks.inp
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/dports/science/cp2k-data/cp2k-7.1.0/tests/SE/regtest-2-1/ |
H A D | TEST_FILES_RESET | 463 ice-scp-ewald_gks.inp
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-ot-2/ |
H A D | TEST_FILES_RESET | 998 ice-scp-ewald_gks.inp
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-gpw-4/ |
H A D | TEST_FILES_RESET | 927 ice-scp-ewald_gks.inp
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