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Searched refs:beta_1_3 (Results 1 – 20 of 20) sorted by relevance

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsd_beta/
H A Dbeta_1_3.F1 SUBROUTINE beta_1_3(d_a,k_a_offset,d_b,k_b_offset,d_c,k_c_offset) subroutine
H A DGNUmakefile53 beta_2_1.F beta_1_3.F beta_1_4_1_5_1_1.F beta_1_3_6_2_1.F beta_3_6_4_2_1.F \
H A DGNUmakefile.old74 beta_1_3.o \
584 beta_1_3.F \
H A Dbeta_1.F616 CALL beta_1_3(d_y2,k_y2_offset,d_i1,k_i1_offset,d_i0,k_i0_offset)
H A Dbeta_1_all.F616 CALL beta_1_3(d_y2,k_y2_offset,d_i1,k_i1_offset,d_i0,k_i0_offset)
11979 SUBROUTINE beta_1_3(d_a,k_a_offset,d_b,k_b_offset,d_c,k_c_offset) subroutine
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsd_beta/
H A Dbeta_1_3.F1 SUBROUTINE beta_1_3(d_a,k_a_offset,d_b,k_b_offset,d_c,k_c_offset) subroutine
H A DGNUmakefile53 beta_2_1.F beta_1_3.F beta_1_4_1_5_1_1.F beta_1_3_6_2_1.F beta_3_6_4_2_1.F \
H A DGNUmakefile.old74 beta_1_3.o \
584 beta_1_3.F \
H A Dbeta_1.F616 CALL beta_1_3(d_y2,k_y2_offset,d_i1,k_i1_offset,d_i0,k_i0_offset)
H A Dbeta_1_all.F616 CALL beta_1_3(d_y2,k_y2_offset,d_i1,k_i1_offset,d_i0,k_i0_offset)
11979 SUBROUTINE beta_1_3(d_a,k_a_offset,d_b,k_b_offset,d_c,k_c_offset) subroutine
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/
H A Dxc_b97.F579 alpha_c1rhob, alpha_crhoa, alpha_crhob, beta_1_1, beta_1_2, beta_1_3, beta_2_1, beta_2_2, & local
661 beta_1_3 = 0.10357e2_dp
758 t87 = beta_1_3*t43 + beta_2_3*rs + beta_3_3*t46 + t86
882 t267 = beta_1_3*t223
1118 t731 = beta_1_3*t631
1596 alpha_c1rhob, alpha_crhoa, alpha_crhob, beta_1_1, beta_1_2, beta_1_3, beta_2_1, beta_2_2, & local
1678 beta_1_3 = 0.10357e2_dp
1775 t87 = beta_1_3*t43 + beta_2_3*rs + beta_3_3*t46 + t86
1899 t267 = beta_1_3*t223
2135 t731 = beta_1_3*t631
H A Dxc_tpss.F927 beta_1_1, beta_1_2, beta_1_3, beta_2_1, beta_2_2, beta_2_3, beta_3_1, beta_3_2, beta_3_3, & local
1011 beta_1_3 = 0.10357e2_dp
1205 t257 = LOG(0.1e1_dp + t245/(beta_1_3*t174 + beta_2_3*rs_s2 + &
1208 t272 = LOG(0.1e1_dp + t245/(beta_1_3*t193 + beta_2_3*rs_s1 + &
1233 t321 = beta_1_3*t282 + beta_2_3*rs + beta_3_3*t285 + t320
1418 t628 = beta_1_3*t584
H A Dxc_pbe.F1518 Arhobrhob, beta, beta_1_1, beta_1_2, beta_1_3, beta_2_1, beta_2_2, beta_2_3, beta_3_1, & local
1607 beta_1_3 = 0.10357e2_dp
1663 t59 = beta_1_3*t15 + beta_2_3*rs + beta_3_3*t18 + t58
1785 t222 = beta_1_3*t178
2017 t648 = beta_1_3*t548
/dports/science/cp2k-data/cp2k-7.1.0/src/xc/
H A Dxc_b97.F579 alpha_c1rhob, alpha_crhoa, alpha_crhob, beta_1_1, beta_1_2, beta_1_3, beta_2_1, beta_2_2, & local
661 beta_1_3 = 0.10357e2_dp
758 t87 = beta_1_3*t43 + beta_2_3*rs + beta_3_3*t46 + t86
882 t267 = beta_1_3*t223
1118 t731 = beta_1_3*t631
1596 alpha_c1rhob, alpha_crhoa, alpha_crhob, beta_1_1, beta_1_2, beta_1_3, beta_2_1, beta_2_2, & local
1678 beta_1_3 = 0.10357e2_dp
1775 t87 = beta_1_3*t43 + beta_2_3*rs + beta_3_3*t46 + t86
1899 t267 = beta_1_3*t223
2135 t731 = beta_1_3*t631
H A Dxc_tpss.F927 beta_1_1, beta_1_2, beta_1_3, beta_2_1, beta_2_2, beta_2_3, beta_3_1, beta_3_2, beta_3_3, & local
1011 beta_1_3 = 0.10357e2_dp
1205 t257 = LOG(0.1e1_dp + t245/(beta_1_3*t174 + beta_2_3*rs_s2 + &
1208 t272 = LOG(0.1e1_dp + t245/(beta_1_3*t193 + beta_2_3*rs_s1 + &
1233 t321 = beta_1_3*t282 + beta_2_3*rs + beta_3_3*t285 + t320
1418 t628 = beta_1_3*t584
H A Dxc_pbe.F1518 Arhobrhob, beta, beta_1_1, beta_1_2, beta_1_3, beta_2_1, beta_2_2, beta_2_3, beta_3_1, & local
1607 beta_1_3 = 0.10357e2_dp
1663 t59 = beta_1_3*t15 + beta_2_3*rs + beta_3_3*t18 + t58
1785 t222 = beta_1_3*t178
2017 t648 = beta_1_3*t548
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/small_intchk/
H A Dsmall_intchk.out5630 beta_1_3.F,v 1.1 2007-10-29 02:27:43 jhammond
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/small_intchk/
H A Dsmall_intchk.out5630 beta_1_3.F,v 1.1 2007-10-29 02:27:43 jhammond
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/intchk/
H A Dintchk.out5756 beta_1_3.F,v 1.1 2007-10-29 02:27:43 jhammond
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/intchk/
H A Dintchk.out5756 beta_1_3.F,v 1.1 2007-10-29 02:27:43 jhammond