t2am (reference) in projects: dports - OpenGrok search results

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Searched refs:t2am (Results 1 – 25 of 73) sorted by relevance

12 3

/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/cc/
H A D	ccsdr12ao.F	`20 & t2am,xlambdap,xlambdah, 64 real8 work(), xlambdap(), xlambdah(), t2am(), e1pim(), 145 call dcopy(nt2sq(1),t2am,1,work(kt2amt),1) 230 call dcopy(nt2sq(1),t2am,1,work(kt2amt),1) 395 * t2am,isym0,xlambdap,dummy, 419 call dscal(nt2sq(1),two,t2am,1) 422 call ccrhs_t2tr(t2am,work(kend3),lwrk3,isym0) 437 * t2am,isym0, 453 call daxpy(nt2sq(1),one,work(kt2amt),1,t2am,1) 454 call dscal(nt2sq(1),half,t2am,1) [all …]`
H A D	ccsdr12cd.F	`20 & omegar12,isymom,t2am,isymt2,isymim, 50 real8 xlamdah(),omegar12(),t2am(),cmox(),work() 277 & omegar12, isymom, t2am, isymt2, 307 call ccsd_tcmepk(t2am,one,isymt2,iopttcme) 311 & omegar12, isymom, t2am, isymt2,`
H A D	cc_r12ccsd.F	1343 subroutine ccrhs_bpp(omega,t2am,isymt2am,lt2pcked, 1371 real omega(),t2am(),work(),factor,ddot,one 1373 double precision omega(),t2am(),work(),factor,ddot,one 1425 call cc_t2pk(work(kvpk),t2am,isymt2am,iopt) 1428 call dcopy (nt2am(isymt2am),work(kvpk),1,t2am,1) 1433 & ddot(nt2am(isymt2am),t2am,1,t2am,1) 1435 call cc_prp(one,t2am,isymt2am,0,1) 1446 call cc_r12mi2(omega,work(kvpk),t2am,isymvint,isymt2am, 1459 call dcopy(nt2am(isymt2am),t2am,1,work(kvpk),1) 1460 call cc_t2sq(work(kvpk),t2am,isymt2am)
H A D	cc_fop3.F	`473 rho1n = ddot(nt1amxnt1amx,t2am,1,t2am,1) 539 xnorm = ddot(nt1amxnt1amx,t2am,1,t2am,1) 569 rho1n = ddot(nt1amxnt1amx,t2am,1,t2am,1) 645 rho1n = ddot(nt1amxnt1amx,t2am,1,t2am,1)`
H A D	cc_r12a2.F	1237 real work(), t2am(), omega(),factor,ddot,two,one 1304 call cc_t2pk(work(kt2pck),t2am,isymt2am,iopt) 1361 call cc_t2sq(work(kt2pck),t2am,isymt2am) 1560 subroutine cc_t2xe(t2am,work,lwork) argument 1587 real t2am(), work(lwork) 1589 double precision t2am(), work(lwork) 1662 t2am(naibj) = t2am(naibj) 1679 subroutine cc_r12mi2(omega,xkint,t2am,isymkint,isymt2am, argument 1697 real work(), xkint(),t2am(), omega(),factor 1700 double precision work(), xkint(),t2am(), omega(),factor [all …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/mlcc/
H A D	mlcc3_init.F90	`221 call work_deallocator(t2am) 239 call work_deallocator(t2am) 268 call work_allocator(t2am,n_t2am_pack) 271 call cc_rdrsp('R0',0,1,iopt,model,t1am,t2am) 304 call work_allocator(t2am,n_t2am_pack) 307 call cc_rdrsp('R0',0,1,iopt,model,t1am,t2am)`
H A D	mlcc3_data.F90	`67 real(dp), dimension(:), pointer :: t2am => null() variable`
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/test/trueresult/
H A D	ccsdr12_n2.ref	1286 Norm^2 of t2am after ccvec: 0.4959431056D-01 1302 Norm^2 of t2am after ccvec: 0.4763040941D-01 1318 Norm^2 of t2am after ccvec: 0.5357299389D-01 1334 Norm^2 of t2am after ccvec: 0.5633088334D-01 1350 Norm^2 of t2am after ccvec: 0.5708732672D-01 1366 Norm^2 of t2am after ccvec: 0.5721532870D-01 1382 Norm^2 of t2am after ccvec: 0.5720675391D-01 1398 Norm^2 of t2am after ccvec: 0.5721175774D-01 1414 Norm^2 of t2am after ccvec: 0.5721236002D-01 1430 Norm^2 of t2am after ccvec: 0.5721237805D-01 [all …]
H A D	ccsdr12_n2_direct.ref	1283 Norm^2 of t2am after ccvec: 0.4959431056D-01 1299 Norm^2 of t2am after ccvec: 0.4763040941D-01 1315 Norm^2 of t2am after ccvec: 0.5357299389D-01 1331 Norm^2 of t2am after ccvec: 0.5633088334D-01 1347 Norm^2 of t2am after ccvec: 0.5708732672D-01 1363 Norm^2 of t2am after ccvec: 0.5721532870D-01 1379 Norm^2 of t2am after ccvec: 0.5720675391D-01 1395 Norm^2 of t2am after ccvec: 0.5721175774D-01 1411 Norm^2 of t2am after ccvec: 0.5721236002D-01 1427 Norm^2 of t2am after ccvec: 0.5721237805D-01 [all …]
H A D	ccsdr12pt_ne.ref	900 Norm^2 of t2am after ccvec: 0.1511154409D-01 916 Norm^2 of t2am after ccvec: 0.1465499665D-01 932 Norm^2 of t2am after ccvec: 0.1534952319D-01 948 Norm^2 of t2am after ccvec: 0.1541223198D-01 964 Norm^2 of t2am after ccvec: 0.1548103422D-01 980 Norm^2 of t2am after ccvec: 0.1547899146D-01 996 Norm^2 of t2am after ccvec: 0.1547854509D-01 1012 Norm^2 of t2am after ccvec: 0.1547836804D-01 1028 Norm^2 of t2am after ccvec: 0.1547835243D-01 1044 Norm^2 of t2am after ccvec: 0.1547835153D-01 [all …]
H A D	ccsdr12pt_ne_f12.ref	914 Norm^2 of t2am after ccvec: 0.1511154409D-01 930 Norm^2 of t2am after ccvec: 0.1465499665D-01 946 Norm^2 of t2am after ccvec: 0.1534952319D-01 962 Norm^2 of t2am after ccvec: 0.1541223198D-01 978 Norm^2 of t2am after ccvec: 0.1548103422D-01 994 Norm^2 of t2am after ccvec: 0.1547899146D-01 1010 Norm^2 of t2am after ccvec: 0.1547854509D-01 1026 Norm^2 of t2am after ccvec: 0.1547836804D-01 1042 Norm^2 of t2am after ccvec: 0.1547835243D-01 1058 Norm^2 of t2am after ccvec: 0.1547835153D-01 [all …]
H A D	cc_energy_field.ref	`886 Norm^2 of t2am after ccvec: 0.2133769502D-01 897 Norm^2 of t2am after ccvec: 0.2201907389D-01 908 Norm^2 of t2am after ccvec: 0.2359630326D-01 919 Norm^2 of t2am after ccvec: 0.2428394069D-01 930 Norm^2 of t2am after ccvec: 0.2431111836D-01 941 Norm^2 of t2am after ccvec: 0.2430578082D-01 952 Norm^2 of t2am after ccvec: 0.2430658947D-01 963 Norm^2 of t2am after ccvec: 0.2430579086D-01 974 Norm^2 of t2am after ccvec: 0.2430552674D-01 1090 Norm^2 of t2am after ccvec: 0.2430552133D-01 [all …]`
H A D	cc_geoopt2.ref	`874 Norm^2 of t2am after ccvec: 0.4306390702D-01 885 Norm^2 of t2am after ccvec: 0.4553536452D-01 896 Norm^2 of t2am after ccvec: 0.5139874841D-01 907 Norm^2 of t2am after ccvec: 0.5487857326D-01 918 Norm^2 of t2am after ccvec: 0.5508961921D-01 929 Norm^2 of t2am after ccvec: 0.5520010116D-01 940 Norm^2 of t2am after ccvec: 0.5519381212D-01 951 Norm^2 of t2am after ccvec: 0.5518973488D-01 962 Norm^2 of t2am after ccvec: 0.5518908133D-01 973 Norm^2 of t2am after ccvec: 0.5518872651D-01 [all …]`
H A D	cc_fop_cc3.ref	`839 Norm^2 of t2am after ccvec: 0.1532332901D-01 850 Norm^2 of t2am after ccvec: 0.1733390412D-01 861 Norm^2 of t2am after ccvec: 0.1902146535D-01 872 Norm^2 of t2am after ccvec: 0.1932600562D-01 883 Norm^2 of t2am after ccvec: 0.1936162740D-01 894 Norm^2 of t2am after ccvec: 0.1936256538D-01 905 Norm^2 of t2am after ccvec: 0.1936114282D-01 916 Norm^2 of t2am after ccvec: 0.1936090989D-01 927 Norm^2 of t2am after ccvec: 0.1936092888D-01 938 Norm^2 of t2am after ccvec: 0.1936092615D-01 [all …]`
H A D	cc_fop_prop.ref	1171 Norm^2 of t2am after ccvec: 0.4286742118D-01 1182 Norm^2 of t2am after ccvec: 0.4286742118D-01 1193 Norm^2 of t2am after ccvec: 0.4554171069D-01 1204 Norm^2 of t2am after ccvec: 0.4663306297D-01 1215 Norm^2 of t2am after ccvec: 0.4664349017D-01 1226 Norm^2 of t2am after ccvec: 0.4664045966D-01 1237 Norm^2 of t2am after ccvec: 0.4664240399D-01 1248 Norm^2 of t2am after ccvec: 0.4664213614D-01 1259 Norm^2 of t2am after ccvec: 0.4664202173D-01 1270 Norm^2 of t2am after ccvec: 0.4664202267D-01 [all …]
H A D	cc_drpa_dipole_h2o.ref	`786 Norm^2 of t2am after ccvec: 0.2335288746D-01 797 Norm^2 of t2am after ccvec: 0.1191908587D-01 808 Norm^2 of t2am after ccvec: 0.1430335975D-01 819 Norm^2 of t2am after ccvec: 0.1430423047D-01 830 Norm^2 of t2am after ccvec: 0.1429652732D-01 841 Norm^2 of t2am after ccvec: 0.1429575348D-01 852 Norm^2 of t2am after ccvec: 0.1429576542D-01 863 Norm^2 of t2am after ccvec: 0.1429577120D-01 874 Norm^2 of t2am after ccvec: 0.1429577159D-01 888 Norm^2 of t2am after ccvec: 0.1429577160D-01 [all …]`
H A D	cc_fop_prop2.ref	1166 Norm^2 of t2am after ccvec: 0.5322447379D-01 1177 Norm^2 of t2am after ccvec: 0.5322447379D-01 1188 Norm^2 of t2am after ccvec: 0.5518936391D-01 1199 Norm^2 of t2am after ccvec: 0.5547158223D-01 1210 Norm^2 of t2am after ccvec: 0.5546487155D-01 1221 Norm^2 of t2am after ccvec: 0.5546562440D-01 1232 Norm^2 of t2am after ccvec: 0.5546553973D-01 1243 Norm^2 of t2am after ccvec: 0.5546555818D-01 1254 Norm^2 of t2am after ccvec: 0.5546556432D-01 1265 Norm^2 of t2am after ccvec: 0.5546556330D-01 [all …]
H A D	cc_fop_freeze.ref	1794 Norm^2 of t2am after ccvec: 0.4959434426D-01 1805 Norm^2 of t2am after ccvec: 0.5020854813D-01 1816 Norm^2 of t2am after ccvec: 0.5621517832D-01 1827 Norm^2 of t2am after ccvec: 0.5967735072D-01 1838 Norm^2 of t2am after ccvec: 0.6032859665D-01 1849 Norm^2 of t2am after ccvec: 0.6046599975D-01 1860 Norm^2 of t2am after ccvec: 0.6046810690D-01 1871 Norm^2 of t2am after ccvec: 0.6047184982D-01 1882 Norm^2 of t2am after ccvec: 0.6047271608D-01 1893 Norm^2 of t2am after ccvec: 0.6047277763D-01 [all …]
H A D	cc_fop_prop3.ref	1778 Norm^2 of t2am after ccvec: 0.4959434426D-01 1789 Norm^2 of t2am after ccvec: 0.5020854813D-01 1800 Norm^2 of t2am after ccvec: 0.5621517832D-01 1811 Norm^2 of t2am after ccvec: 0.5967735072D-01 1822 Norm^2 of t2am after ccvec: 0.6032859665D-01 1833 Norm^2 of t2am after ccvec: 0.6046599975D-01 1844 Norm^2 of t2am after ccvec: 0.6046810690D-01 1855 Norm^2 of t2am after ccvec: 0.6047184982D-01 1866 Norm^2 of t2am after ccvec: 0.6047271608D-01 1877 Norm^2 of t2am after ccvec: 0.6047277763D-01 [all …]
H A D	cc2_r12_aux_ch4_cbs2a.ref	1367 Norm^2 of t2am after ccvec: 0.8088237631D-02 1383 Norm^2 of t2am after ccvec: 0.8088237631D-02 1399 Norm^2 of t2am after ccvec: 0.8274032232D-02 1415 Norm^2 of t2am after ccvec: 0.8297198551D-02 1431 Norm^2 of t2am after ccvec: 0.8300731931D-02 1447 Norm^2 of t2am after ccvec: 0.8300642075D-02 1463 Norm^2 of t2am after ccvec: 0.8300847572D-02 1479 Norm^2 of t2am after ccvec: 0.8304003899D-02 1495 Norm^2 of t2am after ccvec: 0.8306604030D-02 1511 Norm^2 of t2am after ccvec: 0.8306789568D-02 [all …]
H A D	ccsdr12_be.ref	1063 Norm^2 of t2am after ccvec: 0.2448231936D-01 1079 Norm^2 of t2am after ccvec: 0.2448231936D-01 1095 Norm^2 of t2am after ccvec: 0.2452231286D-01 1111 Norm^2 of t2am after ccvec: 0.2459360571D-01 1127 Norm^2 of t2am after ccvec: 0.2459470362D-01 1143 Norm^2 of t2am after ccvec: 0.2459458579D-01 1159 Norm^2 of t2am after ccvec: 0.2459457626D-01 1175 Norm^2 of t2am after ccvec: 0.2459457649D-01 2690 Norm^2 of t2am after ccvec: 0.2459457649D-01 2706 Norm^2 of t2am after ccvec: 0.4764132758D-01 [all …]
H A D	cc_exgr_prop.ref	2275 Norm^2 of t2am after ccvec: 0.1169897204D-01 2286 Norm^2 of t2am after ccvec: 0.1169897204D-01 2297 Norm^2 of t2am after ccvec: 0.1181359788D-01 2308 Norm^2 of t2am after ccvec: 0.1182750607D-01 2319 Norm^2 of t2am after ccvec: 0.1182877594D-01 2330 Norm^2 of t2am after ccvec: 0.1182870767D-01 2341 Norm^2 of t2am after ccvec: 0.1182869973D-01 2352 Norm^2 of t2am after ccvec: 0.1182869970D-01 5090 Norm^2 of t2am after ccvec: 0.1182869970D-01 5101 Norm^2 of t2am after ccvec: 0.1933314679D-01 [all …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/soppa/
H A D	so_mp2t2.F	`23 real(sop_dp), intent(inout) :: t2am(lt2am), work(lwork)`
H A D	so_gett2.F	`188 call soppa_update_amplitudes(t2am, lt2am)`
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/test/ccsdr12_be/result/
H A D	ccsdr12_be.out	1099 Norm^2 of t2am after ccvec: 0.2448232010D-01 1115 Norm^2 of t2am after ccvec: 0.2448232010D-01 1131 Norm^2 of t2am after ccvec: 0.2452231364D-01 1147 Norm^2 of t2am after ccvec: 0.2459360661D-01 1163 Norm^2 of t2am after ccvec: 0.2459470452D-01 1179 Norm^2 of t2am after ccvec: 0.2459458669D-01 1195 Norm^2 of t2am after ccvec: 0.2459457716D-01 1211 Norm^2 of t2am after ccvec: 0.2459457739D-01 2726 Norm^2 of t2am after ccvec: 0.2459457743D-01 2742 Norm^2 of t2am after ccvec: 0.4764132903D-01 [all …]

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