| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/mrcc/uss/ |
| H A D | tce_uss_offdiagonal_1.F | 2 1 k_r2_offsetm,iref,jref,d_c1,d_c2) argument
17 integer k_r2_offsetm(maxref),k_r2a_offsetm(maxref) local
262 ilength = int_mb(k_r2_offsetm(jref))
266 if(int_mb(k_r2_offsetm(jref)+k).eq.ihash) then
296 1 int_mb(k_r2_offsetm(jref)),ihash)
341 ilength = int_mb(k_r2_offsetm(jref))
345 if(int_mb(k_r2_offsetm(jref)+k).eq.ihashold) then
386 1 int_mb(k_r2_offsetm(jref)),h2new1-1+noabn*(h1new1-1+noabn *
426 ilength = int_mb(k_r2_offsetm(jref))
430 if(int_mb(k_r2_offsetm(jref)+k).eq.ihashold) then
[all …]
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| H A D | tce_uss_offdiagonal_2.F | 2 1 k_r2_offsetm,iref,jref,d_c2,d_c1) argument
19 integer k_r2_offsetm(maxref),k_r2a_offsetm(maxref) local
130 1 int_mb(k_r2_offsetm(iref)),oldhash)
292 ilength = int_mb(k_r2_offsetm(jref))
296 if(int_mb(k_r2_offsetm(jref)+k).eq.ihashold) then
336 1 int_mb(k_r2_offsetm(jref)),ihashold)
387 ilength = int_mb(k_r2_offsetm(jref))
392 if(int_mb(k_r2_offsetm(jref)+k).eq.ihashold) then
428 1 int_mb(k_r2_offsetm(jref)),h2new1-1+noabn*(h1new1-1+noabn *
477 ilength = int_mb(k_r2_offsetm(jref))
[all …]
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| H A D | tce_uss_offdiagonal_3.F | 4 1 k_r1_offsetm,k_r2_offsetm) argument
20 integer k_r2_offsetm(maxref) local
350 ilength = int_mb(k_r2_offsetm(jref))
354 if(int_mb(k_r2_offsetm(jref)+k1).eq.ihashold) then
385 1 int_mb(k_r2_offsetm(jref)),ihashold)
432 ilength = int_mb(k_r2_offsetm(jref))
436 if(int_mb(k_r2_offsetm(jref)+k1).eq.ihashold) then
475 1 int_mb(k_r2_offsetm(jref)),h2new1-1+noabn*(h1new1-1+noabn *
521 ilength = int_mb(k_r2_offsetm(jref))
525 if(int_mb(k_r2_offsetm(jref)+k1).eq.ihashold) then
[all …]
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| H A D | tce_uss_offdiagonal_4.F | 5 2 iref,jref,k_r1_offsetm,k_r2_offsetm) argument
21 integer k_r2_offsetm(maxref) local
354 ilength = int_mb(k_r2_offsetm(jref))
358 if(int_mb(k_r2_offsetm(jref)+k1).eq.ihash) then
390 1 int_mb(k_r2_offsetm(jref)),ihash)
436 ilength = int_mb(k_r2_offsetm(jref))
440 if(int_mb(k_r2_offsetm(jref)+k1).eq.ihashold) then
477 1 int_mb(k_r2_offsetm(jref)),h2new1-1+noabn*(h1new1-1+noabn *
522 ilength = int_mb(k_r2_offsetm(jref))
526 if(int_mb(k_r2_offsetm(jref)+k1).eq.ihashold) then
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/mrcc/uss/ |
| H A D | tce_uss_offdiagonal_1.F | 2 1 k_r2_offsetm,iref,jref,d_c1,d_c2)
17 integer k_r2_offsetm(maxref),k_r2a_offsetm(maxref)
262 ilength = int_mb(k_r2_offsetm(jref))
266 if(int_mb(k_r2_offsetm(jref)+k).eq.ihash) then
296 1 int_mb(k_r2_offsetm(jref)),ihash)
341 ilength = int_mb(k_r2_offsetm(jref))
345 if(int_mb(k_r2_offsetm(jref)+k).eq.ihashold) then
386 1 int_mb(k_r2_offsetm(jref)),h2new1-1+noabn*(h1new1-1+noabn *
426 ilength = int_mb(k_r2_offsetm(jref))
430 if(int_mb(k_r2_offsetm(jref)+k).eq.ihashold) then
[all …]
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| H A D | tce_uss_offdiagonal_2.F | 2 1 k_r2_offsetm,iref,jref,d_c2,d_c1)
19 integer k_r2_offsetm(maxref),k_r2a_offsetm(maxref)
130 1 int_mb(k_r2_offsetm(iref)),oldhash)
292 ilength = int_mb(k_r2_offsetm(jref))
296 if(int_mb(k_r2_offsetm(jref)+k).eq.ihashold) then
336 1 int_mb(k_r2_offsetm(jref)),ihashold)
387 ilength = int_mb(k_r2_offsetm(jref))
392 if(int_mb(k_r2_offsetm(jref)+k).eq.ihashold) then
428 1 int_mb(k_r2_offsetm(jref)),h2new1-1+noabn*(h1new1-1+noabn *
477 ilength = int_mb(k_r2_offsetm(jref))
[all …]
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| H A D | tce_uss_offdiagonal_3.F | 4 1 k_r1_offsetm,k_r2_offsetm)
20 integer k_r2_offsetm(maxref)
350 ilength = int_mb(k_r2_offsetm(jref))
354 if(int_mb(k_r2_offsetm(jref)+k1).eq.ihashold) then
385 1 int_mb(k_r2_offsetm(jref)),ihashold)
432 ilength = int_mb(k_r2_offsetm(jref))
436 if(int_mb(k_r2_offsetm(jref)+k1).eq.ihashold) then
475 1 int_mb(k_r2_offsetm(jref)),h2new1-1+noabn*(h1new1-1+noabn *
521 ilength = int_mb(k_r2_offsetm(jref))
525 if(int_mb(k_r2_offsetm(jref)+k1).eq.ihashold) then
[all …]
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| H A D | tce_uss_offdiagonal_4.F | 5 2 iref,jref,k_r1_offsetm,k_r2_offsetm)
21 integer k_r2_offsetm(maxref)
354 ilength = int_mb(k_r2_offsetm(jref))
358 if(int_mb(k_r2_offsetm(jref)+k1).eq.ihash) then
390 1 int_mb(k_r2_offsetm(jref)),ihash)
436 ilength = int_mb(k_r2_offsetm(jref))
440 if(int_mb(k_r2_offsetm(jref)+k1).eq.ihashold) then
477 1 int_mb(k_r2_offsetm(jref)),h2new1-1+noabn*(h1new1-1+noabn *
522 ilength = int_mb(k_r2_offsetm(jref))
526 if(int_mb(k_r2_offsetm(jref)+k1).eq.ihashold) then
[all …]
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/mrcc/ |
| H A D | tce_mrcc_energy.F | 81 integer l_r2_offsetm(maxref),k_r2_offsetm(maxref)
1155 1 k_r2_offsetm(iref),size_r2m(iref))
1837 1 k_r2_offsetm,iref,jref,d_r1d(jref),
1841 1 k_r2_offsetm,iref,jref,d_r2xy(jref),
2227 & k_t1_offsetm(iref),d_r2m(iref),k_r2_offsetm(iref))
2231 & k_t1_offsetm(iref),d_r2m(iref),k_r2_offsetm(iref))
2237 + k_r2_offsetm(iref))
2245 & k_t1_offsetm(iref),d_r2m(iref),k_r2_offsetm(iref))
2769 1 k_r2_offsetm,iref,jref,d_r1d(jref),
2773 1 k_r2_offsetm,iref,jref,d_r2xy(jref),
[all …]
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| H A D | tce_mrcc_c2.F | 4 1 K_T2_OFFSETM,d_t2m,d_r2m,k_r2_offsetm,size_t1m)
44 integer k_r2_offsetm(maxref)
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| H A D | tce_mrcc_heff.F | 7 1 k_r2_offsetm,k_r3_offsetm,k_r4_offsetm,d_r1m,d_r2m,d_r3m,d_r4m, argument
26 integer k_r2_offsetm(maxref) local
62 call tce_heff_offdiagonal(k_r1_offsetm,k_r2_offsetm,
78 1 k_r2_offsetm,k_r3_offsetm,k_r4_offsetm,d_r1m,d_r2m,d_r3m, argument
94 integer k_r2_offsetm(maxref) local
360 1 int_mb(k_r2_offsetm(iref)),h4b-1+noab*(h3b-1+noab*(p2b-
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/mrcc/ |
| H A D | tce_mrcc_energy.F | 81 integer l_r2_offsetm(maxref),k_r2_offsetm(maxref)
1155 1 k_r2_offsetm(iref),size_r2m(iref))
1837 1 k_r2_offsetm,iref,jref,d_r1d(jref),
1841 1 k_r2_offsetm,iref,jref,d_r2xy(jref),
2227 & k_t1_offsetm(iref),d_r2m(iref),k_r2_offsetm(iref))
2231 & k_t1_offsetm(iref),d_r2m(iref),k_r2_offsetm(iref))
2237 + k_r2_offsetm(iref))
2245 & k_t1_offsetm(iref),d_r2m(iref),k_r2_offsetm(iref))
2769 1 k_r2_offsetm,iref,jref,d_r1d(jref),
2773 1 k_r2_offsetm,iref,jref,d_r2xy(jref),
[all …]
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| H A D | tce_mrcc_c2.F | 4 1 K_T2_OFFSETM,d_t2m,d_r2m,k_r2_offsetm,size_t1m)
44 integer k_r2_offsetm(maxref)
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| H A D | tce_mrcc_heff.F | 7 1 k_r2_offsetm,k_r3_offsetm,k_r4_offsetm,d_r1m,d_r2m,d_r3m,d_r4m,
26 integer k_r2_offsetm(maxref)
62 call tce_heff_offdiagonal(k_r1_offsetm,k_r2_offsetm,
78 1 k_r2_offsetm,k_r3_offsetm,k_r4_offsetm,d_r1m,d_r2m,d_r3m,
94 integer k_r2_offsetm(maxref)
360 1 int_mb(k_r2_offsetm(iref)),h4b-1+noab*(h3b-1+noab*(p2b-
|