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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/lrh/
H A Dtce_loc_j1.F16 integer h2b
50 do h2b = 1,noab
54 1 +int_mb(k_spin+h2b-1).ne.4)) then
64 do h2 = 1,int_mb(k_range+h2b-1)
67 ih2=int_mb(k_offset+h2b-1)+h2
141 integer h2b
163 do h2b = 1,noab
217 integer h2b
239 do h2b = 1,noab
296 integer h2b
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/lrh/
H A Dtce_loc_j1.F16 integer h2b
50 do h2b = 1,noab
54 1 +int_mb(k_spin+h2b-1).ne.4)) then
64 do h2 = 1,int_mb(k_range+h2b-1)
67 ih2=int_mb(k_offset+h2b-1)+h2
141 integer h2b
163 do h2b = 1,noab
217 integer h2b
239 do h2b = 1,noab
296 integer h2b
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/cr-eomccsd_t/
H A Dc2excit2.F49 INTEGER h2b
74 DO h2b = h1b,noab
154 INTEGER h2b
187 DO h2b = 1,noab
351 INTEGER h2b
456 INTEGER h2b
489 DO h2b = 1,noab
653 INTEGER h2b
762 INTEGER h2b
959 INTEGER h2b
[all …]
H A Dt2t12.F46 INTEGER h2b
68 DO h2b = h1b,noab
73 &1b-1)+int_mb(k_spin+h2b-1)) THEN
77 &nge+h1b-1) * int_mb(k_range+h2b-1)
144 INTEGER h2b
174 DO h2b = 1,noab
179 &1b-1)+int_mb(k_spin+h2b-1)) THEN
332 INTEGER h2b
356 DO h2b = h1b,noab
435 INTEGER h2b
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/cr-eomccsd_t/
H A Dc2excit2.F49 INTEGER h2b
74 DO h2b = h1b,noab
154 INTEGER h2b
187 DO h2b = 1,noab
351 INTEGER h2b
456 INTEGER h2b
489 DO h2b = 1,noab
653 INTEGER h2b
762 INTEGER h2b
959 INTEGER h2b
[all …]
H A Dt2t12.F46 INTEGER h2b
68 DO h2b = h1b,noab
73 &1b-1)+int_mb(k_spin+h2b-1)) THEN
77 &nge+h1b-1) * int_mb(k_range+h2b-1)
144 INTEGER h2b
174 DO h2b = 1,noab
179 &1b-1)+int_mb(k_spin+h2b-1)) THEN
332 INTEGER h2b
356 DO h2b = h1b,noab
435 INTEGER h2b
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsd_yr/
H A Dccsd_lr_d1_ph.F59 INTEGER h2b
77 DO h2b = 1,noab
104 &,int_mb(k_range+h2b-1),2,1,1.0d0)
106 & noab - 1 + nvab * (h2b - 1)))
147 INTEGER h2b
176 DO h2b = 1,noab
275 INTEGER h2b
304 DO h2b = 1,noab
397 INTEGER h2b
400 DO h2b = 1,noab
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsd_yr/
H A Dccsd_lr_d1_ph.F59 INTEGER h2b
77 DO h2b = 1,noab
104 &,int_mb(k_range+h2b-1),2,1,1.0d0)
106 & noab - 1 + nvab * (h2b - 1)))
147 INTEGER h2b
176 DO h2b = 1,noab
275 INTEGER h2b
304 DO h2b = 1,noab
397 INTEGER h2b
400 DO h2b = 1,noab
[all …]
/dports/finance/py-pycoin/pycoin-0.91.20210515/tests/
H A Dbloomfilter_test.py9 h2b = binascii.unhexlify variable
35 bf.add_hash160(h2b("751e76e8199196d454941c45d1b3a323f1433bd6"))
36 tx_hash = h2b("79be667ef9dcbbac55a06295ce870b07029bfcdb2dce28d959f2815b16f81798")
39 self.assertEqual(bf.filter_bytes, h2b("0000400000000008011130000000101100000000"))
47 (h2b("FFFFFFFF"), 0, 0x76293B50), # | make sure 4-byte chunks use unsigned math
50 (h2b("214365"), 0, 0x7E4A8634), # | Only three bytes. Should end up as 0x654321
51 (h2b("2143"), 0, 0xA0F7B07A), # | Only two bytes. Should end up as 0x4321
52 (h2b("21"), 0, 0x72661CF4), # | Only one byte. Should end up as 0x21
54 (h2b("000000"), 0, 0x85F0B427), #
55 (h2b("0000"), 0, 0x30F4C306),
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/diis/
H A Dtce_jacobi_t1.F17 integer h2b
52 do h2b = 1,noab
56 1 +int_mb(k_spin+h2b-1).ne.4)) then
62 1 int_mb(k_t1_offset),((p1b-noab-1)*noab+h2b-1))
65 do h2 = 1,int_mb(k_range+h2b-1)
74 1 int_mb(k_t1_offset),((p1b-noab-1)*noab+h2b-1))
81 1 int_mb(k_t1_offset),((p1b-noab-1)*noab+h2b-1))
118 integer h2b
147 do h2b = 1,noab
151 1 +int_mb(k_spin+h2b-1).ne.4)) then
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/diis/
H A Dtce_jacobi_t1.F17 integer h2b
52 do h2b = 1,noab
56 1 +int_mb(k_spin+h2b-1).ne.4)) then
62 1 int_mb(k_t1_offset),((p1b-noab-1)*noab+h2b-1))
65 do h2 = 1,int_mb(k_range+h2b-1)
74 1 int_mb(k_t1_offset),((p1b-noab-1)*noab+h2b-1))
81 1 int_mb(k_t1_offset),((p1b-noab-1)*noab+h2b-1))
118 integer h2b
147 do h2b = 1,noab
151 1 +int_mb(k_spin+h2b-1).ne.4)) then
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdtq/
H A Dccsdtq_t4_13.F28 INTEGER h2b
72 DO h2b = h1b,noab
251 & (h2b .le. h4b)) THEN
262 & (h4b .le. h2b)) THEN
303 & (h2b .le. h4b)) THEN
314 & (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
336 & (h4b .le. h2b)) THEN
357 & (h2b .le. h3b)) THEN
379 & (h1b .le. h3b) .and. (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
445 & (h1b .le. h3b) .and. (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
[all …]
H A Dccsdtq_t4_1.F28 INTEGER h2b
69 DO h2b = h1b,noab
185 & (h2b .le. h4b)) THEN
196 & (h4b .le. h2b)) THEN
247 & (h2b .le. h4b)) THEN
258 & (h4b .le. h2b)) THEN
299 & (h2b .le. h4b)) THEN
310 & (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
332 & (h4b .le. h2b)) THEN
363 & (h2b .le. h4b)) THEN
[all …]
H A Dccsdtq_t4_10.F28 INTEGER h2b
69 DO h2b = h1b,noab
100 &(k_range+h2b-1)
173 & (h2b .le. h4b)) THEN
184 & (h4b .le. h2b)) THEN
225 & (h2b .le. h4b)) THEN
236 & (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
258 & (h4b .le. h2b)) THEN
289 & (h2b .le. h4b)) THEN
300 & (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdtq/
H A Dccsdtq_t4_13.F28 INTEGER h2b
72 DO h2b = h1b,noab
251 & (h2b .le. h4b)) THEN
262 & (h4b .le. h2b)) THEN
303 & (h2b .le. h4b)) THEN
314 & (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
336 & (h4b .le. h2b)) THEN
357 & (h2b .le. h3b)) THEN
379 & (h1b .le. h3b) .and. (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
445 & (h1b .le. h3b) .and. (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
[all …]
H A Dccsdtq_t4_1.F28 INTEGER h2b
69 DO h2b = h1b,noab
185 & (h2b .le. h4b)) THEN
196 & (h4b .le. h2b)) THEN
247 & (h2b .le. h4b)) THEN
258 & (h4b .le. h2b)) THEN
299 & (h2b .le. h4b)) THEN
310 & (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
332 & (h4b .le. h2b)) THEN
363 & (h2b .le. h4b)) THEN
[all …]
H A Dccsdtq_t4_10.F28 INTEGER h2b
69 DO h2b = h1b,noab
100 &(k_range+h2b-1)
173 & (h2b .le. h4b)) THEN
184 & (h4b .le. h2b)) THEN
225 & (h2b .le. h4b)) THEN
236 & (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
258 & (h4b .le. h2b)) THEN
289 & (h2b .le. h4b)) THEN
300 & (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/eomccsdtq/
H A Deomccsdtq_x4_18.F28 INTEGER h2b
72 DO h2b = h1b,noab
253 & (h2b .le. h4b)) THEN
264 & (h4b .le. h2b)) THEN
305 & (h2b .le. h4b)) THEN
316 & (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
338 & (h4b .le. h2b)) THEN
359 & (h2b .le. h3b)) THEN
381 & (h1b .le. h3b) .and. (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
447 & (h1b .le. h3b) .and. (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
[all …]
H A Deomccsdtq_x4_1.F28 INTEGER h2b
69 DO h2b = h1b,noab
187 & (h4b .le. h2b)) THEN
198 & (h2b .le. h4b)) THEN
249 & (h4b .le. h2b)) THEN
260 & (h2b .le. h4b)) THEN
301 & (h2b .le. h4b)) THEN
323 & (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
334 & (h4b .le. h2b)) THEN
365 & (h2b .le. h4b)) THEN
[all …]
H A Deomccsdtq_x4_13.F28 INTEGER h2b
69 DO h2b = h1b,noab
187 & (h2b .le. h4b)) THEN
198 & (h4b .le. h2b)) THEN
249 & (h2b .le. h4b)) THEN
260 & (h4b .le. h2b)) THEN
301 & (h2b .le. h4b)) THEN
312 & (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
334 & (h4b .le. h2b)) THEN
365 & (h2b .le. h4b)) THEN
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/eomccsdtq/
H A Deomccsdtq_x4_18.F28 INTEGER h2b
72 DO h2b = h1b,noab
253 & (h2b .le. h4b)) THEN
264 & (h4b .le. h2b)) THEN
305 & (h2b .le. h4b)) THEN
316 & (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
338 & (h4b .le. h2b)) THEN
359 & (h2b .le. h3b)) THEN
381 & (h1b .le. h3b) .and. (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
447 & (h1b .le. h3b) .and. (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
[all …]
H A Deomccsdtq_x4_1.F28 INTEGER h2b
69 DO h2b = h1b,noab
187 & (h4b .le. h2b)) THEN
198 & (h2b .le. h4b)) THEN
249 & (h4b .le. h2b)) THEN
260 & (h2b .le. h4b)) THEN
301 & (h2b .le. h4b)) THEN
323 & (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
334 & (h4b .le. h2b)) THEN
365 & (h2b .le. h4b)) THEN
[all …]
H A Deomccsdtq_x4_13.F28 INTEGER h2b
69 DO h2b = h1b,noab
187 & (h2b .le. h4b)) THEN
198 & (h4b .le. h2b)) THEN
249 & (h2b .le. h4b)) THEN
260 & (h4b .le. h2b)) THEN
301 & (h2b .le. h4b)) THEN
312 & (h3b .le. h2b) .and. (h2b .le. h4b)) THEN
334 & (h4b .le. h2b)) THEN
365 & (h2b .le. h4b)) THEN
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsd_t/
H A Dm2_dot_m1t1.F66 INTEGER h2b
97 DO h2b = 1,noab
101 CALL TCE_RESTRICTED_2(p1b,h2b,p1b_1,h2b_1)
116 &,int_mb(k_range+h2b-1),2,1,1.0d0)
177 INTEGER h2b
209 DO h2b = 1,noab
298 &,int_mb(k_range+h2b-1),2,1,1.0d0)
300 & noab - 1 + nvab * (h2b - 1)))
333 INTEGER h2b
336 DO h2b = 1,noab
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsd_t/
H A Dm2_dot_m1t1.F66 INTEGER h2b
97 DO h2b = 1,noab
101 CALL TCE_RESTRICTED_2(p1b,h2b,p1b_1,h2b_1)
116 &,int_mb(k_range+h2b-1),2,1,1.0d0)
177 INTEGER h2b
209 DO h2b = 1,noab
298 &,int_mb(k_range+h2b-1),2,1,1.0d0)
300 & noab - 1 + nvab * (h2b - 1)))
333 INTEGER h2b
336 DO h2b = 1,noab
[all …]

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