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Searched refs:d_i1_3 (Results 1 – 25 of 44) sorted by relevance

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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/cr-eomccsd_t/
H A Dcr_eomccsd_t_n2.F1 SUBROUTINE cr_eomccsd_t_N2(a_i0,d_f1,d_i1_1,d_i1_2,d_i1_3,d_i1_4,d argument
112 INTEGER d_i1_3
164 CALL DELETEFILE(d_i1_3)
368 IF (toggle .eq. 1) CALL CREATEFILE(filename,d_i1_3,size_i1_3)
370 &k_v2_offset,d_i1_3,k_i1_offset_3)
380 &k_i2_offset,d_i1_3,k_i1_offset_3)
397 &k_i2_offset,d_i1_3,k_i1_offset_3)
404 &k_v2_offset,d_i1_3,k_i1_offset_3)
405 IF (toggle .eq. 1) CALL RECONCILEFILE(d_i1_3,size_i1_3)
406 IF (toggle .eq. 2) CALL cr_eomccsd_t_N2_3(d_t2,k_t2_offset,d_i1_3,
H A Dcr_eomccsd_t.F100 integer d_i1_1,d_i1_2,d_i1_3
H A Dcr_eomccsd_t_6dts.F112 integer d_i1_1,d_i1_2,d_i1_3
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/cr-eomccsd_t/
H A Dcr_eomccsd_t_n2.F1 SUBROUTINE cr_eomccsd_t_N2(a_i0,d_f1,d_i1_1,d_i1_2,d_i1_3,d_i1_4,d argument
112 INTEGER d_i1_3
164 CALL DELETEFILE(d_i1_3)
368 IF (toggle .eq. 1) CALL CREATEFILE(filename,d_i1_3,size_i1_3)
370 &k_v2_offset,d_i1_3,k_i1_offset_3)
380 &k_i2_offset,d_i1_3,k_i1_offset_3)
397 &k_i2_offset,d_i1_3,k_i1_offset_3)
404 &k_v2_offset,d_i1_3,k_i1_offset_3)
405 IF (toggle .eq. 1) CALL RECONCILEFILE(d_i1_3,size_i1_3)
406 IF (toggle .eq. 2) CALL cr_eomccsd_t_N2_3(d_t2,k_t2_offset,d_i1_3,
H A Dcr_eomccsd_t.F100 integer d_i1_1,d_i1_2,d_i1_3
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsd_t/
H A Dccsd2_t.F44 integer d_i1_1,d_i1_2,d_i1_3,d_i1_4,d_i1_5
76 call ccsd2_t_left(dbl_mb(k_left),d_f1,d_i1_3,d_i1_4,d_i1_5,
140 call ccsd2_t_left(dbl_mb(k_left),d_f1,d_i1_3,d_i1_4,d_i1_5,
206 call ccsd2_t_left(dbl_mb(k_left),d_f1,d_i1_3,d_i1_4,d_i1_5,
H A Dccsdt2_q.F51 integer d_i1_1,d_i1_2,d_i1_3,d_i1_4
71 1 d_i1_3,d_i1_4,d_i1_5,d_i1_6,d_t1,d_t2,d_t3,d_v2,
147 1 d_i1_3,d_i1_4,d_i1_5,d_i1_6,d_t1,d_t2,d_t3,d_v2,
267 1 d_i1_3,d_i1_4,d_i1_5,d_i1_6,d_t1,d_t2,d_t3,d_v2,
H A Dcr_ccsd_t.F40 integer d_i1_1,d_i1_2,d_i1_3 local
80 call cr_ccsd_t_E(dbl_mb(k_den),d_i1_3,
150 call cr_ccsd_t_E(dbl_mb(k_den),d_i1_3,
235 call cr_ccsd_t_E(dbl_mb(k_den),d_i1_3,
H A Dcr_qcisd_t.F223 integer d_i1_1,d_i1_2,d_i1_3
261 call cr_ccsd_t_E(dbl_mb(k_denom),d_i1_3,
349 call cr_ccsd_t_E(dbl_mb(k_denom),d_i1_3,
473 call cr_ccsd_t_E(dbl_mb(k_denom),d_i1_3,
H A Dlr_ccsd_t.F47 integer d_i1_1,d_i1_2,d_i1_3
105 call cr_ccsd_t_E(dbl_mb(k_den),d_i1_3,
174 call cr_ccsd_t_E(dbl_mb(k_den),d_i1_3,
367 call cr_ccsd_t_E(dbl_mb(k_den),d_i1_3,
H A Dccsd2_t_left.F1 SUBROUTINE ccsd2_t_left(a_i0,d_f1,d_i1_2,d_i1_3,d_i1_5,d_t1,d_v2,d argument
40 INTEGER d_i1_3 local
61 CALL DELETEFILE(d_i1_3)
88 IF (toggle .eq. 1) CALL CREATEFILE(filename,d_i1_3,size_i1_3)
89 IF (toggle .eq. 1) CALL ccsd2_t_left_3_1(d_v2,k_v2_offset,d_i1_3,k
92 &2_offset,d_i1_3,k_i1_offset_3)
93 IF (toggle .eq. 1) CALL RECONCILEFILE(d_i1_3,size_i1_3)
94 IF (toggle .eq. 2) CALL ccsd2_t_left_3(d_y2,k_y2_offset,d_i1_3,k_i
H A Dccsdt2_q_left.F1 SUBROUTINE ccsdt2_q_left(a_i0,d_f1,d_i1_2,d_i1_3,d_i1_4,d_t1,d_v2, argument
43 INTEGER d_i1_3
64 CALL DELETEFILE(d_i1_3)
91 IF (toggle .eq. 1) CALL CREATEFILE(filename,d_i1_3,size_i1_3)
92 IF (toggle .eq. 1) CALL ccsdt2_q_left_3_1(d_v2,k_v2_offset,d_i1_3,
95 &v2_offset,d_i1_3,k_i1_offset_3)
96 IF (toggle .eq. 1) CALL RECONCILEFILE(d_i1_3,size_i1_3)
97 IF (toggle .eq. 2) CALL ccsdt2_q_left_3(d_y3,k_y3_offset,d_i1_3,k_
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsd_t/
H A Dccsd2_t.F44 integer d_i1_1,d_i1_2,d_i1_3,d_i1_4,d_i1_5
76 call ccsd2_t_left(dbl_mb(k_left),d_f1,d_i1_3,d_i1_4,d_i1_5,
140 call ccsd2_t_left(dbl_mb(k_left),d_f1,d_i1_3,d_i1_4,d_i1_5,
206 call ccsd2_t_left(dbl_mb(k_left),d_f1,d_i1_3,d_i1_4,d_i1_5,
H A Dccsdt2_q.F51 integer d_i1_1,d_i1_2,d_i1_3,d_i1_4
71 1 d_i1_3,d_i1_4,d_i1_5,d_i1_6,d_t1,d_t2,d_t3,d_v2,
147 1 d_i1_3,d_i1_4,d_i1_5,d_i1_6,d_t1,d_t2,d_t3,d_v2,
267 1 d_i1_3,d_i1_4,d_i1_5,d_i1_6,d_t1,d_t2,d_t3,d_v2,
H A Dcr_ccsd_t.F40 integer d_i1_1,d_i1_2,d_i1_3
80 call cr_ccsd_t_E(dbl_mb(k_den),d_i1_3,
150 call cr_ccsd_t_E(dbl_mb(k_den),d_i1_3,
235 call cr_ccsd_t_E(dbl_mb(k_den),d_i1_3,
H A Dcr_qcisd_t.F223 integer d_i1_1,d_i1_2,d_i1_3
261 call cr_ccsd_t_E(dbl_mb(k_denom),d_i1_3,
349 call cr_ccsd_t_E(dbl_mb(k_denom),d_i1_3,
473 call cr_ccsd_t_E(dbl_mb(k_denom),d_i1_3,
H A Dlr_ccsd_t.F47 integer d_i1_1,d_i1_2,d_i1_3
105 call cr_ccsd_t_E(dbl_mb(k_den),d_i1_3,
174 call cr_ccsd_t_E(dbl_mb(k_den),d_i1_3,
367 call cr_ccsd_t_E(dbl_mb(k_den),d_i1_3,
H A Dccsd2_t_left.F1 SUBROUTINE ccsd2_t_left(a_i0,d_f1,d_i1_2,d_i1_3,d_i1_5,d_t1,d_v2,d argument
40 INTEGER d_i1_3
61 CALL DELETEFILE(d_i1_3)
88 IF (toggle .eq. 1) CALL CREATEFILE(filename,d_i1_3,size_i1_3)
89 IF (toggle .eq. 1) CALL ccsd2_t_left_3_1(d_v2,k_v2_offset,d_i1_3,k
92 &2_offset,d_i1_3,k_i1_offset_3)
93 IF (toggle .eq. 1) CALL RECONCILEFILE(d_i1_3,size_i1_3)
94 IF (toggle .eq. 2) CALL ccsd2_t_left_3(d_y2,k_y2_offset,d_i1_3,k_i
H A Dccsdt2_q_left.F1 SUBROUTINE ccsdt2_q_left(a_i0,d_f1,d_i1_2,d_i1_3,d_i1_4,d_t1,d_v2, argument
43 INTEGER d_i1_3
64 CALL DELETEFILE(d_i1_3)
91 IF (toggle .eq. 1) CALL CREATEFILE(filename,d_i1_3,size_i1_3)
92 IF (toggle .eq. 1) CALL ccsdt2_q_left_3_1(d_v2,k_v2_offset,d_i1_3,
95 &v2_offset,d_i1_3,k_i1_offset_3)
96 IF (toggle .eq. 1) CALL RECONCILEFILE(d_i1_3,size_i1_3)
97 IF (toggle .eq. 2) CALL ccsdt2_q_left_3(d_y3,k_y3_offset,d_i1_3,k_
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/cr_eomccsd_t_act/
H A Dcr_eomccsd_tasim.F101 integer d_i1_1,d_i1_2,d_i1_3
H A Dcr_eomccsd_t_act.F101 integer d_i1_1,d_i1_2,d_i1_3
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/cr_eomccsd_t_act/
H A Dcr_eomccsd_tasim.F101 integer d_i1_1,d_i1_2,d_i1_3
H A Dcr_eomccsd_t_act.F101 integer d_i1_1,d_i1_2,d_i1_3
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsd/
H A Dicsd_t1.F54 integer d_i1_3
119 CALL CREATEFILE(filename,d_i1_3,size_i1_3)
232 CALL icsd_t1_3_1(d_f1,k_f1_offset,d_i1_3,k_i1_3_offset,ctx,9) !--OK
237 CALL icsd_t1_3_2(d_t1,k_t1_offset,d_v2,k_v2_offset,d_i1_3, !--OK
243 CALL icsd_t1_3(d_t1,k_t1_offset,d_i1_3,k_i1_3_offset,
307 call deletefile(d_i1_3)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsd/
H A Dicsd_t1.F54 integer d_i1_3
119 CALL CREATEFILE(filename,d_i1_3,size_i1_3)
232 CALL icsd_t1_3_1(d_f1,k_f1_offset,d_i1_3,k_i1_3_offset,ctx,9) !--OK
237 CALL icsd_t1_3_2(d_t1,k_t1_offset,d_v2,k_v2_offset,d_i1_3, !--OK
243 CALL icsd_t1_3(d_t1,k_t1_offset,d_i1_3,k_i1_3_offset,
307 call deletefile(d_i1_3)

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