| /dports/science/gabedit/GabeditSrc251_300720/src/MPQC/ |
| H A D | MPQCFunctionals.c | 248 stdFunctionals[SVWN3].type = SVWN3; in initMPQCStdFunctionals()
249 stdFunctionals[SVWN3].name = g_strdup("SVWN3"); in initMPQCStdFunctionals()
250 stdFunctionals[SVWN3].n = 2; in initMPQCStdFunctionals()
251 stdFunctionals[SVWN3].listOfTypes = g_malloc(stdFunctionals[SVWN3].n*sizeof(MPQCFunctionalType)); in initMPQCStdFunctionals()
252 stdFunctionals[SVWN3].listOfTypes[0]= SlaterX; in initMPQCStdFunctionals()
253 stdFunctionals[SVWN3].listOfTypes[1]= VWN3LC; in initMPQCStdFunctionals()
254 stdFunctionals[SVWN3].coefficients = g_malloc(stdFunctionals[SVWN3].n*sizeof(gdouble)); in initMPQCStdFunctionals()
255 stdFunctionals[SVWN3].coefficients[0]= 1.0; in initMPQCStdFunctionals()
256 stdFunctionals[SVWN3].coefficients[1]= 1.0; in initMPQCStdFunctionals()
|
| H A D | MPQCTypes.h | 98 XALPHA = 0, HFS, HFB, HFG96, G96LYP, BLYP, SVWN1, SVWN1RPA, SVWN2, SVWN3, enumerator
|
| /dports/science/mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ref/ |
| H A D | ckpt_0clkssvwn3.in | 27 functional<StdDenFunctional>: ( name = "SVWN3" )
|
| H A D | ckpt_clkssvwn3.in | 27 functional<StdDenFunctional>: ( name = "SVWN3" )
|
| H A D | ckpt_0clkssvwn3.out | 124 Standard Density Functional: SVWN3
|
| H A D | ckpt_1clkssvwn3.out | 135 Standard Density Functional: SVWN3
|
| H A D | ckpt_clkssvwn3.out | 149 Standard Density Functional: SVWN3
|
| /dports/science/mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ |
| H A D | ckpt_clkssvwn3.in | 27 functional<StdDenFunctional>: ( name = "SVWN3" )
|
| H A D | ckpt_0clkssvwn3.in | 27 functional<StdDenFunctional>: ( name = "SVWN3" )
|
| /dports/science/gabedit/GabeditSrc251_300720/src/Mopac/ |
| H A D | MopacTypes.h | 40 XALPHA = 0, HFS, HFB, HFG96, G96LYP, BLYP, SVWN1, SVWN1RPA, SVWN2, SVWN3, enumerator
|
| /dports/science/gabedit/GabeditSrc251_300720/src/Gamess/ |
| H A D | GamessTypes.h | 48 XALPHA = 0, HFS, HFB, HFG96, G96LYP, BLYP, SVWN1, SVWN1RPA, SVWN2, SVWN3, enumerator
|
| /dports/science/gabedit/GabeditSrc251_300720/src/FireFly/ |
| H A D | FireFlyTypes.h | 48 XALPHA = 0, HFS, HFB, HFG96, G96LYP, BLYP, SVWN1, SVWN1RPA, SVWN2, SVWN3, enumerator
|
| /dports/science/gabedit/GabeditSrc251_300720/src/NWChem/ |
| H A D | NWChemTypes.h | 60 XALPHA = 0, HFS, HFB, HFG96, G96LYP, BLYP, SVWN1, SVWN1RPA, SVWN2, SVWN3, enumerator
|
| /dports/science/gabedit/GabeditSrc251_300720/src/Orca/ |
| H A D | OrcaTypes.h | 60 XALPHA = 0, HFS, HFB, HFG96, G96LYP, BLYP, SVWN1, SVWN1RPA, SVWN2, SVWN3, enumerator
|
| /dports/science/gabedit/GabeditSrc251_300720/src/DeMon/ |
| H A D | DeMonTypes.h | 60 XALPHA = 0, HFS, HFB, HFG96, G96LYP, BLYP, SVWN1, SVWN1RPA, SVWN2, SVWN3, enumerator
|
| /dports/science/gabedit/GabeditSrc251_300720/src/Psicode/ |
| H A D | PsicodeTypes.h | 60 XALPHA = 0, HFS, HFB, HFG96, G96LYP, BLYP, SVWN1, SVWN1RPA, SVWN2, SVWN3, enumerator
|
| /dports/science/gabedit/GabeditSrc251_300720/src/QChem/ |
| H A D | QChemTypes.h | 60 XALPHA = 0, HFS, HFB, HFG96, G96LYP, BLYP, SVWN1, SVWN1RPA, SVWN2, SVWN3, enumerator
|
| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/Doc/ |
| H A D | Sirius.tex | 1047 \item[SVWN3] is a sum of the Slater exchange functional and VWN3 correlation
1051 \index{SVWN3}
|
| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/i18n/ |
| H A D | oc.po | 7439 #~ msgid "SVWN3"
7440 #~ msgstr "SVWN3"
|
| H A D | zh_TW.po | 8711 #~ msgid "SVWN3"
8712 #~ msgstr "SVWN3"
|
| H A D | ru.po | 8961 #~ msgid "SVWN3"
8962 #~ msgstr "SVWN3"
|
| H A D | el.po | 9779 #~ msgid "SVWN3"
9780 #~ msgstr "SVWN3"
|
| /dports/science/avogadrolibs/avogadrolibs-1.94.0/i18n/ |
| H A D | oc.po | 7439 #~ msgid "SVWN3"
7440 #~ msgstr "SVWN3"
|
| H A D | zh_TW.po | 8711 #~ msgid "SVWN3"
8712 #~ msgstr "SVWN3"
|
| H A D | ru.po | 8961 #~ msgid "SVWN3"
8962 #~ msgstr "SVWN3"
|