| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | mixed_cdft_types.F | 55 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: Wad, Wda component
491 H, S, Wad, Wda, W_diagonal, energy, strength, S_minushalf) argument
496 REAL(KIND=dp), DIMENSION(:, :), OPTIONAL :: H, S, Wad, Wda, W_diagonal local
558 IF (PRESENT(Wda)) THEN
559 IF (ALLOCATED(results%Wda)) DEALLOCATE (results%Wda)
560 ALLOCATE (results%Wda(SIZE(Wda, 1), SIZE(Wda, 2)))
561 results%Wda(:, :) = Wda(:, :)
591 IF (ALLOCATED(results%Wda)) DEALLOCATE (results%Wda)
|
| H A D | et_coupling.F | 72 REAL(KIND=dp) :: Sda, strength, Waa, Wbb, Wda local
203 Wda = ((a(1) + a(2)) + (b(1) + b(2)))*0.5_dp*Sda
206 Wda = (a(1) + b(1))*Sda
223 W_mat(2, 1) = Wda
224 W_mat(1, 2) = Wda
242 a(1) = (energy%total + strength*Wbb)*Sda - strength*Wda
243 a(2) = (qs_env%et_coupling%energy + qs_env%et_coupling%e1*Waa)*Sda - qs_env%et_coupling%e1*Wda
|
| H A D | mixed_cdft_methods.F | 1186 W_diagonal, Wad, Wda local
1550 ALLOCATE (Wda(nvar, npermutations))
1565 Wda(ivar, ipermutation) = SUM(a(:, ivar, ipermutation))*Sda(ipermutation)
1594 CALL mixed_cdft_result_type_set(mixed_cdft%results, Wda=Wda, W_diagonal=W_diagonal, &
1643 sum_b(2) = sum_b(2) + strength(ivar, jstate)*Wda(ivar, ipermutation)
1645 sum_a(2) = sum_a(2) + strength(ivar, istate)*Wda(ivar, ipermutation)
1650 sum_a(2) = sum_a(2) + strength(ivar, istate)*Wda(ivar, ipermutation)
1664 DEALLOCATE (H_mat, W_diagonal, Wda, strength, energy, Sda)
1713 CPASSERT(ALLOCATED(mixed_cdft%results%Wda))
1721 nvar = SIZE(mixed_cdft%results%Wda, 1)
[all …]
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | mixed_cdft_types.F | 55 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: Wad, Wda component
491 H, S, Wad, Wda, W_diagonal, energy, strength, S_minushalf) argument
496 REAL(KIND=dp), DIMENSION(:, :), OPTIONAL :: H, S, Wad, Wda, W_diagonal local
558 IF (PRESENT(Wda)) THEN
559 IF (ALLOCATED(results%Wda)) DEALLOCATE (results%Wda)
560 ALLOCATE (results%Wda(SIZE(Wda, 1), SIZE(Wda, 2)))
561 results%Wda(:, :) = Wda(:, :)
591 IF (ALLOCATED(results%Wda)) DEALLOCATE (results%Wda)
|
| H A D | et_coupling.F | 72 REAL(KIND=dp) :: Sda, strength, Waa, Wbb, Wda local
203 Wda = ((a(1) + a(2)) + (b(1) + b(2)))*0.5_dp*Sda
206 Wda = (a(1) + b(1))*Sda
223 W_mat(2, 1) = Wda
224 W_mat(1, 2) = Wda
242 a(1) = (energy%total + strength*Wbb)*Sda - strength*Wda
243 a(2) = (qs_env%et_coupling%energy + qs_env%et_coupling%e1*Waa)*Sda - qs_env%et_coupling%e1*Wda
|
| H A D | mixed_cdft_methods.F | 1187 W_diagonal, Wad, Wda local
1551 ALLOCATE (Wda(nvar, npermutations))
1566 Wda(ivar, ipermutation) = SUM(a(:, ivar, ipermutation))*Sda(ipermutation)
1595 CALL mixed_cdft_result_type_set(mixed_cdft%results, Wda=Wda, W_diagonal=W_diagonal, &
1644 sum_b(2) = sum_b(2) + strength(ivar, jstate)*Wda(ivar, ipermutation)
1646 sum_a(2) = sum_a(2) + strength(ivar, istate)*Wda(ivar, ipermutation)
1651 sum_a(2) = sum_a(2) + strength(ivar, istate)*Wda(ivar, ipermutation)
1665 DEALLOCATE (H_mat, W_diagonal, Wda, strength, energy, Sda)
1714 CPASSERT(ALLOCATED(mixed_cdft%results%Wda))
1722 nvar = SIZE(mixed_cdft%results%Wda, 1)
[all …]
|
| /dports/graphics/ImageMagick6-nox11/ImageMagick-6.9.12-34/PerlMagick/t/reference/filter/ |
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|
| /dports/graphics/ImageMagick7/ImageMagick-7.1.0-19/PerlMagick/t/reference/filter/ |
| H A D | Gamma.miff | 15 …}{����ů�ȱ������z�she]\OPYOQVPTZPU\PY[TZZSZTOD��k����ƞ�ܯ�ص�ʤ�ȧ���{�p\]V]^V`]Wda[da[e\WcZV]WU]ZZVWZY…
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| /dports/graphics/ImageMagick7-nox11/ImageMagick-7.1.0-19/PerlMagick/t/reference/filter/ |
| H A D | Gamma.miff | 15 …}{����ů�ȱ������z�she]\OPYOQVPTZPU\PY[TZZSZTOD��k����ƞ�ܯ�ص�ʤ�ȧ���{�p\]V]^V`]Wda[da[e\WcZV]WU]ZZVWZY…
|
| /dports/graphics/ImageMagick6/ImageMagick-6.9.12-34/PerlMagick/t/reference/filter/ |
| H A D | Gamma.miff | 15 …}{����ů�ȱ������z�she]\OPYOQVPTZPU\PY[TZZSZTOD��k����ƞ�ܯ�ص�ʤ�ȧ���{�p\]V]^V`]Wda[da[e\WcZV]WU]ZZVWZY…
|
| /dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-ot/ |
| H A D | TEST_FILES_RESET | 811 # bug fix in et_coupling.F (computation of Wda)
|
| /dports/net-mgmt/bosun/bosun-0.9.0-preview/vendor/github.com/google/cadvisor/pages/static/ |
| H A D | gcharts_js.go | 338 …turn{}};W.El=function(a,b){return bo(b,Zs,{})};W.ps=function(){return O};W.Wda=function(a){this.xc…
342 ….get(aw(b));return c?Wda(c,function(a){return this.rh.get(a)},a):null}W.Xf=function(a){return this…
352 function Nka(a,b){var c=a.yh.Xf(b);if(c){var d=b.gT();d.Wda&&d.Wda(c);for(d=0;d<c[J];d++){var e=c[d…
|
| /dports/japanese/kiten/kiten-21.12.3/data/ |
| H A D | kanjidic | 1724 … DC128 DJ104 DB2.8 DG405 DM110 P2-3-3 I0a6.5 Q2720.7 DR2560 ZPP3-3-3 Yduo1 Wda �� ����.�� �ޤ�.�� �…
1764 …4 DC5 DJ87 DB2.2 DG408 DM108 P4-3-4 I0a3.18 Q4003.0 DR1463 Yda4 Ydai4 Wdae Wda Wtae ���� ���� ����…
1854 …45 DH187 DT183 DJ145 DB2.5 DG654 DM258 P2-3-6 I3k6.19 Q4490.4 DR1964 Ycha2 Wda Wcha ���� �� T1 ���…
3418 �� 546C U591b B58 C36 S6 XJ0423F XN1169 N1580 V1128 MN5759 MP3.0349 P2-3-3 I0a6.5 Q1720.7 Yduo1 Wda…
3500 �� 5560 U5b83 B40 S5 V1306 MN7057 MP3.0897 P2-3-2 I3m2.3 Q3071.1 Yta1 Wda Wsa �� �ؤ� {other}
3869 �� 5959 U6376 B64 S11 V2177 MN12215 MP5.0258 P1-3-8 I3c8.3 Q5201.4 Ychui2 Wchu Wda ���� �����.�� {s…
|
| /dports/biology/bbmap/bbmap/resources/ |
| H A D | blacklist_prokprot_merged.sketch | 24183 1Wda[glB
|
| H A D | blacklist_refseq_merged.sketch | 99433 3;79Wda>
|
| /dports/editors/texstudio/texstudio-4.1.2/utilities/dictionaries/ |
| H A D | pl_PL-Polish.dic | 42638 Wda/M
42639 Wdałego
42640 Wdałemu
42641 Wdały
42642 Wdałym
|
| /dports/www/dooble/dooble-2021.12.05/Dictionaries/pl_PL/ |
| H A D | pl_PL.dic | 276797 Wda�ego
276798 Wda�emu
276799 Wda�y
276800 Wda�ym
276801 Wda/M
|
| /dports/editors/texmaker/texmaker-5.0.3/dictionaries/ |
| H A D | pl_PL.dic | 42638 Wda/M
42639 Wda�ego
42640 Wda�emu
42641 Wda�y
42642 Wda�ym
|
| /dports/polish/hunspell/sjp-myspell-pl-20211201/ |
| H A D | pl_PL.dic | 304265 Wda�ego
304266 Wda�emu
304267 Wda�y
304268 Wda�ym
304269 Wda/M
|
| /dports/mail/gmime26-sharp/gmime-2.6.23/tests/data/mbox/input/ |
| H A D | jwz.mbox | 132794 Wda+s62pqaquuMhkQjcwLi4vNj9Z2se/vr/CydX/VUlFRUpWdtvNx8PBw8fN2e5sX1hMPzgy
|
| /dports/mail/gmime26/gmime-2.6.23/tests/data/mbox/input/ |
| H A D | jwz.mbox | 132794 Wda+s62pqaquuMhkQjcwLi4vNj9Z2se/vr/CydX/VUlFRUpWdtvNx8PBw8fN2e5sX1hMPzgy
|
| /dports/devel/godot-tools/godot-demo-projects-8d9d58f112d8/3d/material_testers/backgrounds/ |
| H A D | schelde.hdr | 13214 …������������І������������������������hebiZRTUWUTTT�U�VQJNx��iie������{{���Wda�^jh]��}pibdpoea^_XZ…
|
| /dports/games/libretro-mame2003_plus/mame2003-plus-libretro-17e9889/metadata/ |
| H A D | history.dat | 6232 Planner : Kame, Garuda Tetsu, Wda T
|
| /dports/security/hashcat-legacy/hashcat-legacy-2.00/salts/ |
| H A D | brute-vbulletin.salt | 502901 Wda
|
| /dports/math/py-heyoka/heyoka.py-0.16.0/doc/notebooks/ |
| H A D | The Keplerian billiard.ipynb | 131279 "Wda+f3jcsizrf5ZlHbEsa49lWTX/8Nj9lmUd/O2xl52XWkRERERETFABu3czgfv/5fHWQPnfPgYC\\\n",
|