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Searched refs:scrf (Results 1 – 25 of 42) sorted by relevance

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/dports/science/nwchem-data/nwchem-7.0.2-release/src/ccsd/
H A Dccsd_zsig1.F3 & scra,scrb,scrc,scrd,scre,scrf,
18 & scre(nbf*nbf),scrf(nbf*nbf)
108 call ga_get(g_nexch,ad4+1,ad4+nbf,ad3+1,ad3+nbf,scrf,
113 scre(ad3)=scre(ad3)+scrf(ad3)
136 call ga_get(g_ncoul,ad4+1,ad4+nbf,ad3+1,ad3+nbf,scrf,
141 scre(ad3)=scre(ad3)+scrf(ad3)
237 & scrf,nvir)
291 & scrf,nbf)
300 hz1(i,c)=hz1(i,c)+(2.0d0*scrf((nocc+c-1)*nbf+nocc+d)
331 & scrf,nbf)
[all …]
H A Dccsd_itm.F7 & scra,scrb,scrc,scrd,scre,scrf,
20 & scre(nact*nact),scrf(nact*nact)
152 call dfill(nact*nact,0.0d00,scrf,1)
159 scrf(ad1)=scrf(ad1)+0.5d00*scre((b-1)*nvir+a)
161 scrf(ad1)=scrf(ad1)-scre((k-1)*nvir+a)*t1(k,b-nocc)
221 scrf(ad1)=scrf(ad1)+scre((b-1)*nact+a)
223 scrf(ad1)=scrf(ad1)-scre((b-1)*nact+k)*t1(k,a-nocc)
224 scrf(ad1)=scrf(ad1)-scre((k-1)*nact+a)*t1(k,b-nocc)
231 & scrf,nvir,1.0d00)
416 & nvir,giu,nocc,0.0d00,scrf,nvir)
[all …]
H A Dccsd_zsig2.F3 & scra,scrb,scrc,scrd,scre,scrf,
18 & scre(nbf*nbf),scrf(nbf*nbf)
230 call dfill(nbf*nbf,0.0d00,scrf,1)
240 scrf(ad4)=scrf(ad4)+(2.0d0*scre(ad5)-scre(ad6))
248 & scrf,nvir,1.0d00)
266 & nvir,giu,nocc,0.0d00,scrf,nvir)
267 call ga_acc(g_nhz2,1,lnov,ad1,ad1,scrf,lnov,1.0d00)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ccsd/
H A Dccsd_zsig1.F3 & scra,scrb,scrc,scrd,scre,scrf,
18 & scre(nbf*nbf),scrf(nbf*nbf)
108 call ga_get(g_nexch,ad4+1,ad4+nbf,ad3+1,ad3+nbf,scrf,
113 scre(ad3)=scre(ad3)+scrf(ad3)
136 call ga_get(g_ncoul,ad4+1,ad4+nbf,ad3+1,ad3+nbf,scrf,
141 scre(ad3)=scre(ad3)+scrf(ad3)
237 & scrf,nvir)
291 & scrf,nbf)
300 hz1(i,c)=hz1(i,c)+(2.0d0*scrf((nocc+c-1)*nbf+nocc+d)
331 & scrf,nbf)
[all …]
H A Dccsd_itm.F7 & scra,scrb,scrc,scrd,scre,scrf,
20 & scre(nact*nact),scrf(nact*nact)
152 call dfill(nact*nact,0.0d00,scrf,1)
159 scrf(ad1)=scrf(ad1)+0.5d00*scre((b-1)*nvir+a)
161 scrf(ad1)=scrf(ad1)-scre((k-1)*nvir+a)*t1(k,b-nocc)
221 scrf(ad1)=scrf(ad1)+scre((b-1)*nact+a)
223 scrf(ad1)=scrf(ad1)-scre((b-1)*nact+k)*t1(k,a-nocc)
224 scrf(ad1)=scrf(ad1)-scre((k-1)*nact+a)*t1(k,b-nocc)
231 & scrf,nvir,1.0d00)
416 & nvir,giu,nocc,0.0d00,scrf,nvir)
[all …]
H A Dccsd_zsig2.F3 & scra,scrb,scrc,scrd,scre,scrf,
18 & scre(nbf*nbf),scrf(nbf*nbf)
230 call dfill(nbf*nbf,0.0d00,scrf,1)
240 scrf(ad4)=scrf(ad4)+(2.0d0*scre(ad5)-scre(ad6))
248 & scrf,nvir,1.0d00)
266 & nvir,giu,nocc,0.0d00,scrf,nvir)
267 call ga_acc(g_nhz2,1,lnov,ad1,ad1,scrf,lnov,1.0d00)
/dports/science/multiwfn/gMultiwfn-3.4.1-0-14-ge873677/examples/
H A DbasP2.gjf1 #p PBE1PBE/6-31+G(d) scrf(PCM,solvent=ethanol) out=wfn
3 PBE1PBE/6-31+G(d) scrf(PCM,solvent=ethanol) out=wfn
H A DextP2.gjf1 #p PBE1PBE/6-31+G(d) td(root=1,singlet) scrf(PCM,solvent=ethanol) out=wfn density
3 PBE1PBE/6-31+G(d) td(root=1,singlet) scrf(PCM,solvent=ethanol) out=wfn density
/dports/games/libretro-scummvm/scummvm-7b1e929/engines/cge2/
H A Dcge2_main.cpp313 EncryptedStream scrf(this, fname); in loadScript() local
315 if (scrf.err()) in loadScript()
324 for (line = scrf.readLine(); !scrf.eos(); line = scrf.readLine()) { in loadScript()
380 error("Bad INI line %d [%s]", scrf.getLineCount(), fname); in loadScript()
/dports/games/scummvm/scummvm-2.5.1/engines/cge2/
H A Dcge2_main.cpp313 EncryptedStream scrf(this, fname); in loadScript() local
315 if (scrf.err()) in loadScript()
324 for (line = scrf.readLine(); !scrf.eos(); line = scrf.readLine()) { in loadScript()
380 error("Bad INI line %d [%s]", scrf.getLineCount(), fname); in loadScript()
/dports/games/libretro-scummvm/scummvm-7b1e929/engines/cge/
H A Dcge_main.cpp1156 EncryptedStream scrf(this, fname); in loadScript() local
1158 if (scrf.err()) in loadScript()
1167 for (line = scrf.readLine(); !scrf.eos(); line = scrf.readLine()) { in loadScript()
/dports/games/scummvm/scummvm-2.5.1/engines/cge/
H A Dcge_main.cpp1155 EncryptedStream scrf(this, fname); in loadScript() local
1157 if (scrf.err()) in loadScript()
1166 for (line = scrf.readLine(); !scrf.eos(); line = scrf.readLine()) { in loadScript()
/dports/converters/wkhtmltopdf/qt-5db36ec/tools/qdoc3/
H A Dnode.h720 void setRuntimeScrFunc(const QString& scrf) { runtimeScrFunc = scrf; } in setRuntimeScrFunc() argument
/dports/devel/qt5-designer/kde-qttools-5.15.2p17/src/qdoc/
H A Dnode.h1164 void setRuntimeScrFunc(const QString &scrf) { runtimeScrFunc_ = scrf; } in setRuntimeScrFunc() argument
/dports/devel/qt5-uitools/kde-qttools-5.15.2p17/src/qdoc/
H A Dnode.h1164 void setRuntimeScrFunc(const QString &scrf) { runtimeScrFunc_ = scrf; } in setRuntimeScrFunc() argument
/dports/x11-toolkits/qt5-uiplugin/kde-qttools-5.15.2p17/src/qdoc/
H A Dnode.h1164 void setRuntimeScrFunc(const QString &scrf) { runtimeScrFunc_ = scrf; } in setRuntimeScrFunc() argument
/dports/devel/qt5-qdoc/kde-qttools-5.15.2p17/src/qdoc/
H A Dnode.h1164 void setRuntimeScrFunc(const QString &scrf) { runtimeScrFunc_ = scrf; } in setRuntimeScrFunc() argument
/dports/devel/qt5-qdbus/kde-qttools-5.15.2p17/src/qdoc/
H A Dnode.h1164 void setRuntimeScrFunc(const QString &scrf) { runtimeScrFunc_ = scrf; } in setRuntimeScrFunc() argument
/dports/sysutils/qt5-qtplugininfo/kde-qttools-5.15.2p17/src/qdoc/
H A Dnode.h1164 void setRuntimeScrFunc(const QString &scrf) { runtimeScrFunc_ = scrf; } in setRuntimeScrFunc() argument
/dports/sysutils/qt5-qtdiag/kde-qttools-5.15.2p17/src/qdoc/
H A Dnode.h1164 void setRuntimeScrFunc(const QString &scrf) { runtimeScrFunc_ = scrf; } in setRuntimeScrFunc() argument
/dports/sysutils/qt5-qtpaths/kde-qttools-5.15.2p17/src/qdoc/
H A Dnode.h1164 void setRuntimeScrFunc(const QString &scrf) { runtimeScrFunc_ = scrf; } in setRuntimeScrFunc() argument
/dports/devel/qt5-linguist/kde-qttools-5.15.2p17/src/qdoc/
H A Dnode.h1164 void setRuntimeScrFunc(const QString &scrf) { runtimeScrFunc_ = scrf; } in setRuntimeScrFunc() argument
/dports/devel/qt5-help/kde-qttools-5.15.2p17/src/qdoc/
H A Dnode.h1164 void setRuntimeScrFunc(const QString &scrf) { runtimeScrFunc_ = scrf; } in setRuntimeScrFunc() argument
/dports/devel/qt5-linguisttools/kde-qttools-5.15.2p17/src/qdoc/
H A Dnode.h1164 void setRuntimeScrFunc(const QString &scrf) { runtimeScrFunc_ = scrf; } in setRuntimeScrFunc() argument
/dports/devel/qt5-assistant/kde-qttools-5.15.2p17/src/qdoc/
H A Dnode.h1164 void setRuntimeScrFunc(const QString &scrf) { runtimeScrFunc_ = scrf; } in setRuntimeScrFunc() argument

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