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| 1 | ·4b4548970e9f18cfd2ef95986bf8282d·414272·libdevel·optional·libpsi3-dev_3.4.0-6_i386.deb | 1 | ·4b4548970e9f18cfd2ef95986bf8282d·414272·libdevel·optional·libpsi3-dev_3.4.0-6_i386.deb |
| 2 | ·2b806f935c75b923ec61bc2cec6fd28f·256184·debug·optional·psi3-dbgsym_3.4.0-6_i386.deb | 2 | ·2b806f935c75b923ec61bc2cec6fd28f·256184·debug·optional·psi3-dbgsym_3.4.0-6_i386.deb |
| 3 | · | 3 | ·43f384941255a87a6b613b1c05b514ca·9312796·science·optional·psi3_3.4.0-6_i386.deb |
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| 1 | -rw-r--r--···0········0········0········4·2015-09-12·12:17:43.000000·debian-binary | 1 | -rw-r--r--···0········0········0········4·2015-09-12·12:17:43.000000·debian-binary |
| 2 | -rw-r--r--···0········0········0·····3664·2015-09-12·12:17:43.000000·control.tar.xz | 2 | -rw-r--r--···0········0········0·····3664·2015-09-12·12:17:43.000000·control.tar.xz |
| 3 | -rw-r--r--···0········0········0··93089 | 3 | -rw-r--r--···0········0········0··9308940·2015-09-12·12:17:43.000000·data.tar.xz |
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| 73 | -rw-r--r--···0·root·········(0)·root·········(0)······189·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/examples/scf-opt.dat | 73 | -rw-r--r--···0·root·········(0)·root·········(0)······189·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/examples/scf-opt.dat |
| 74 | -rw-r--r--···0·root·········(0)·root·········(0)·····1204·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/examples/scf-polar.dat | 74 | -rw-r--r--···0·root·········(0)·root·········(0)·····1204·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/examples/scf-polar.dat |
| 75 | -rw-r--r--···0·root·········(0)·root·········(0)····32912·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/libdpd.html | 75 | -rw-r--r--···0·root·········(0)·root·········(0)····32912·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/libdpd.html |
| 76 | -rw-r--r--···0·root·········(0)·root·········(0)····11536·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/libpsio.html | 76 | -rw-r--r--···0·root·········(0)·root·········(0)····11536·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/libpsio.html |
| 77 | -rw-r--r--···0·root·········(0)·root·········(0)······386·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/psirc.example | 77 | -rw-r--r--···0·root·········(0)·root·········(0)······386·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/psirc.example |
| 78 | drwxr-xr-x···0·root·········(0)·root·········(0)········0·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/txt/ | 78 | drwxr-xr-x···0·root·········(0)·root·········(0)········0·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/txt/ |
| 79 | -rw-r--r--···0·root·········(0)·root·········(0)·····2193·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/txt/libiwl.txt.gz | 79 | -rw-r--r--···0·root·········(0)·root·········(0)·····2193·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/txt/libiwl.txt.gz |
| 80 | -rw-r--r--···0·root·········(0)·root·········(0)···2539 | 80 | -rw-r--r--···0·root·········(0)·root·········(0)···253978·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/userman.ps.gz |
| 81 | drwxr-xr-x···0·root·········(0)·root·········(0)········0·2015-09-12·12:17:43.000000·./usr/share/doc-base/ | 81 | drwxr-xr-x···0·root·········(0)·root·········(0)········0·2015-09-12·12:17:43.000000·./usr/share/doc-base/ |
| 82 | -rw-r--r--···0·root·········(0)·root·········(0)······285·2015-08-25·15:35:32.000000·./usr/share/doc-base/psi3.psi3 | 82 | -rw-r--r--···0·root·········(0)·root·········(0)······285·2015-08-25·15:35:32.000000·./usr/share/doc-base/psi3.psi3 |
| 83 | drwxr-xr-x···0·root·········(0)·root·········(0)········0·2015-09-12·12:17:43.000000·./usr/share/man/ | 83 | drwxr-xr-x···0·root·········(0)·root·········(0)········0·2015-09-12·12:17:43.000000·./usr/share/man/ |
| 84 | drwxr-xr-x···0·root·········(0)·root·········(0)········0·2015-09-12·12:17:43.000000·./usr/share/man/man1/ | 84 | drwxr-xr-x···0·root·········(0)·root·········(0)········0·2015-09-12·12:17:43.000000·./usr/share/man/man1/ |
| 85 | -rw-r--r--···0·root·········(0)·root·········(0)·····3311·2015-09-12·12:17:43.000000·./usr/share/man/man1/ccenergy.1.gz | 85 | -rw-r--r--···0·root·········(0)·root·········(0)·····3311·2015-09-12·12:17:43.000000·./usr/share/man/man1/ccenergy.1.gz |
| 86 | -rw-r--r--···0·root·········(0)·root·········(0)·····1138·2015-09-12·12:17:43.000000·./usr/share/man/man1/cceom.1.gz | 86 | -rw-r--r--···0·root·········(0)·root·········(0)·····1138·2015-09-12·12:17:43.000000·./usr/share/man/man1/cceom.1.gz |
| 87 | -rw-r--r--···0·root·········(0)·root·········(0)·····4612·2015-09-12·12:17:43.000000·./usr/share/man/man1/cints.1.gz | 87 | -rw-r--r--···0·root·········(0)·root·········(0)·····4612·2015-09-12·12:17:43.000000·./usr/share/man/man1/cints.1.gz |
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| 11 | %%EndComments | 11 | %%EndComments |
| 12 | %%BeginDefaults | 12 | %%BeginDefaults |
| 13 | %%ViewingOrientation:·1·0·0·1 | 13 | %%ViewingOrientation:·1·0·0·1 |
| 14 | %%EndDefaults | 14 | %%EndDefaults |
| 15 | %DVIPSWebPage:·(www.radicaleye.com) | 15 | %DVIPSWebPage:·(www.radicaleye.com) |
| 16 | %DVIPSCommandLine:·dvips·-o·userman.ps·userman.dvi | 16 | %DVIPSCommandLine:·dvips·-o·userman.ps·userman.dvi |
| 17 | %DVIPSParameters:·dpi=600 | 17 | %DVIPSParameters:·dpi=600 |
| 18 | %DVIPSSource:··TeX·output·202 | 18 | %DVIPSSource:··TeX·output·2025.02.17:0938 |
| 19 | %%BeginProcSet:·tex.pro·0·0 | 19 | %%BeginProcSet:·tex.pro·0·0 |
| 20 | %! | 20 | %! |
| 21 | /TeXDict·300·dict·def·TeXDict·begin/N{def}def/B{bind·def}N/S{exch}N/X{S | 21 | /TeXDict·300·dict·def·TeXDict·begin/N{def}def/B{bind·def}N/S{exch}N/X{S |
| 22 | N}B/A{dup}B/TR{translate}N/isls·false·N/vsize·11·72·mul·N/hsize·8.5·72 | 22 | N}B/A{dup}B/TR{translate}N/isls·false·N/vsize·11·72·mul·N/hsize·8.5·72 |
| 23 | mul·N/landplus90{false}def/@rigin{isls{[0·landplus90{1·-1}{-1·1}ifelse·0 | 23 | mul·N/landplus90{false}def/@rigin{isls{[0·landplus90{1·-1}{-1·1}ifelse·0 |
| 24 | 0·0]concat}if·72·Resolution·div·72·VResolution·div·neg·scale·isls{ | 24 | 0·0]concat}if·72·Resolution·div·72·VResolution·div·neg·scale·isls{ |
| 25 | landplus90{VResolution·72·div·vsize·mul·0·exch}{Resolution·-72·div·hsize | 25 | landplus90{VResolution·72·div·vsize·mul·0·exch}{Resolution·-72·div·hsize |
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| 6280 | 2322·y(Ge)g(or)g(gia)34·b(Institute)h(of)g(T)-7·b(e)i(chnolo)g(gy,)33 | 6280 | 2322·y(Ge)g(or)g(gia)34·b(Institute)h(of)g(T)-7·b(e)i(chnolo)g(gy,)33 |
| 6281 | b(A)n(tlanta,)i(Ge)-5·b(or)g(gia)34·b(30332-0400)317 | 6281 | b(A)n(tlanta,)i(Ge)-5·b(or)g(gia)34·b(30332-0400)317 |
| 6282 | 2466·y·Fp(b)351·2502·y·Fo(Dep)-5·b(artment)34·b(of)h(Chemistry,)f(Vir) | 6282 | 2466·y·Fp(b)351·2502·y·Fo(Dep)-5·b(artment)34·b(of)h(Chemistry,)f(Vir) |
| 6283 | -5·b(ginia)35·b(T)-7·b(e)i(ch,)33·b(Blacksbur)-5·b(g,)34 | 6283 | -5·b(ginia)35·b(T)-7·b(e)i(ch,)33·b(Blacksbur)-5·b(g,)34 |
| 6284 | b(Vir)-5·b(ginia)34·b(24061-0001)309·2647·y·Fp(c)344 | 6284 | b(Vir)-5·b(ginia)34·b(24061-0001)309·2647·y·Fp(c)344 |
| 6285 | 2683·y·Fo(Dep)-5·b(artment)34·b(of)g(Chemistry,)h(Bethel)f(Col)5 | 6285 | 2683·y·Fo(Dep)-5·b(artment)34·b(of)g(Chemistry,)h(Bethel)f(Col)5 |
| 6286 | b(le)-5·b(ge,)34·b(St.)h(Paul,)f(Minnesota)h(55112-6999)1508 | 6286 | b(le)-5·b(ge,)34·b(St.)h(Paul,)f(Minnesota)h(55112-6999)1508 |
| 6287 | 2983·y·Fn(PSI3)f·Fq(V)-8·b(ersion:)44·b(3.4.0)12 | 6287 | 2983·y·Fn(PSI3)f·Fq(V)-8·b(ersion:)44·b(3.4.0)1265·3103 |
| 6288 | y(Created)3 | 6288 | y(Created)33·b(on:)44·b(F)-8·b(ebruary)33·b(17,)f(2025)930 |
| 6289 | 3224·y(Rep)s(ort) | 6289 | 3224·y(Rep)s(ort)g(bugs)i(to:)43·b(psico)s(de@users.sourceforge.net)p |
| 6290 | eop·end | 6290 | eop·end |
| 6291 | %%Page:·2·2 | 6291 | %%Page:·2·2 |
| 6292 | TeXDict·begin·2·1·bop·0·0·a | 6292 | TeXDict·begin·2·1·bop·0·0·a |
| 6293 | SDict·begin·/product·where{pop·product(Distiller)search{pop·pop·pop | 6293 | SDict·begin·/product·where{pop·product(Distiller)search{pop·pop·pop |
| 6294 | version(.)search{exch·pop·exch·pop(3011)eq{gsave·newpath·0·0·moveto | 6294 | version(.)search{exch·pop·exch·pop(3011)eq{gsave·newpath·0·0·moveto |
| 6295 | closepath·clip/Courier·findfont·10·scalefont·setfont·72·72·moveto(.)show | 6295 | closepath·clip/Courier·findfont·10·scalefont·setfont·72·72·moveto(.)show |
| 6296 | grestore}if}{pop}ifelse}{pop}ifelse}if·end | 6296 | grestore}if}{pop}ifelse}{pop}ifelse}if·end |
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| 3 | ···················C.·David·Sherrill,·T.·Daniel·Crawford,·Edward·F.·Valeev,\xd | 3 | ···················C.·David·Sherrill,·T.·Daniel·Crawford,·Edward·F.·Valeev,\xd |
| 4 | ····················Micah·L.·Abrams,b·Rollin·A.·King,c·and·Ashley·Ringera\xd | 4 | ····················Micah·L.·Abrams,b·Rollin·A.·King,c·and·Ashley·Ringera\xd |
| 5 | ··················aCenter·for·Computational·Molecular·Science·and·Technology,\xd | 5 | ··················aCenter·for·Computational·Molecular·Science·and·Technology,\xd |
| 6 | ···················Georgia·Institute·of·Technology,·Atlanta,·Georgia·30332-0400\xd | 6 | ···················Georgia·Institute·of·Technology,·Atlanta,·Georgia·30332-0400\xd |
| 7 | ··············bDepartment·of·Chemistry,·Virginia·Tech,·Blacksburg,·Virginia·24061-0001\xd | 7 | ··············bDepartment·of·Chemistry,·Virginia·Tech,·Blacksburg,·Virginia·24061-0001\xd |
| 8 | ··············cDepartment·of·Chemistry,·Bethel·College,·St.·Paul,·Minnesota·55112-6999\xd | 8 | ··············cDepartment·of·Chemistry,·Bethel·College,·St.·Paul,·Minnesota·55112-6999\xd |
| 9 | ································PSI3·Version:·3.4.0\xd | 9 | ································PSI3·Version:·3.4.0\xd |
| 10 | ·····························Created·on:· | 10 | ·····························Created·on:·February·17,·2025\xd |
| 11 | ························Report·bugs·to:·psicode@users.sourceforge.net\xd | 11 | ························Report·bugs·to:·psicode@users.sourceforge.net\xd |
| 12 | ···············Contents\xd | 12 | ···············Contents\xd |
| 13 | ···············1·Introduction····················································································4\xd | 13 | ···············1·Introduction····················································································4\xd |
| 14 | ···················1.1··Overview·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·····4\xd | 14 | ···················1.1··Overview·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·····4\xd |
| 15 | ···················1.2··Obtaining·and·Installing·PSI3·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.········4\xd | 15 | ···················1.2··Obtaining·and·Installing·PSI3·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.········4\xd |
| 16 | ···················1.3··Supported·Architectures·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.········4\xd | 16 | ···················1.3··Supported·Architectures·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.········4\xd |
| 17 | ···················1.4··Capabilities·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·····5\xd | 17 | ···················1.4··Capabilities·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·····5\xd |