Home
last modified time | relevance | path

Searched refs:DFTTYP (Results 76 – 100 of 125) sorted by relevance

12345

/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/exercises_ref/ex1_first-run-hartree-fock/convert/
H A Dh2o.hf.out243 DFTTYP=NONE TDDFT =NONE
/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/exercises_ref/ex1_first-run-hartree-fock/gms/
H A Dh2o.hf.out243 DFTTYP=NONE TDDFT =NONE
/dports/devel/py-cclib/cclib-1.7.1/data/GAMESS/basicFirefly8.0/
H A Ddvb_raman.inp4 $DFT DFTTYP=B3LYP $END
H A Ddvb_ir.out57 INPUT CARD> $DFT DFTTYP=B3LYP $END
349 DFTTYP=NONE
H A Ddvb_un_sp.out58 INPUT CARD> $DFT DFTTYP=B3LYP $END
350 DFTTYP=NONE
/dports/devel/py-cclib/cclib-1.7.1/data/GAMESS/basicGAMESS-US2018/
H A Dwater_cis_dets.out194 DFTTYP=NONE TDDFT =NONE
H A DMoOCl4-sp.out318 DFTTYP=B3LYP
331 DFTTYP=B3LYP TDDFT =NONE
H A Ddvb_un_sp.out105 INPUT CARD> RUNTYP=ENERGY SCFTYP=UHF DFTTYP=B3LYP
456 DFTTYP=B3LYP
469 DFTTYP=B3LYP TDDFT =NONE
/dports/devel/py-cclib/cclib-1.7.1/data/GAMESS/basicGAMESS-US2017/
H A Dwater_cis_dets.out185 DFTTYP=NONE TDDFT =NONE
H A DMoOCl4-sp.out303 DFTTYP=B3LYP
316 DFTTYP=B3LYP TDDFT =NONE
H A Ddvb_un_sp.out96 INPUT CARD> RUNTYP=ENERGY SCFTYP=UHF DFTTYP=B3LYP
441 DFTTYP=B3LYP
454 DFTTYP=B3LYP TDDFT =NONE
H A DTrp_polar_tdhf.out605 DFTTYP=NONE TDDFT =NONE
/dports/science/qmcpack/qmcpack-3.11.0/nexus/tests/unit/test_gamess_analyzer_files/
H A Dgms.out268 DFTTYP=NONE TDDFT =NONE
/dports/science/qmcpack/qmcpack-3.11.0/tests/molecules/LiH_pp/gamess/
H A Dgms.out268 DFTTYP=NONE TDDFT =NONE
/dports/science/py-MDAnalysisTests/MDAnalysisTests-0.19.2/MDAnalysisTests/data/gms/
H A Dsymopt.gms146 DFTTYP=NONE
/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/GAMESS/CI/CASCI/
H A DH2O.CASSCF.out240 DFTTYP=NONE TDDFT =NONE
/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/REFERENCE/GAMESS/CI/CASCI/
H A DH2O.CASSCF.out240 DFTTYP=NONE TDDFT =NONE
/dports/science/qmcpack/qmcpack-3.11.0/tests/converter/test_aldet6/
H A Daldet6.out277 DFTTYP=NONE TDDFT =NONE
/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/exercises/ex3_multi-slater-jastrow/casscf/gms/
H A Dh2o.cas_rerun.out243 DFTTYP=NONE TDDFT =NONE
H A Dh2o.cas.out243 DFTTYP=NONE TDDFT =NONE
/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/exercises/ex3_multi-slater-jastrow/casscf/thres0.01/
H A Dh2o.cas_rerun.out243 DFTTYP=NONE TDDFT =NONE
/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/exercises_ref/ex3_multi-slater-jastrow/casscf/thres0.01/
H A Dh2o.cas_rerun.out243 DFTTYP=NONE TDDFT =NONE
/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/exercises_ref/ex3_multi-slater-jastrow/casscf/gms/
H A Dh2o.cas_rerun.out243 DFTTYP=NONE TDDFT =NONE
H A Dh2o.cas.out243 DFTTYP=NONE TDDFT =NONE
/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/exercises_ref/ex3_multi-slater-jastrow/casscf/thres0.0075/
H A Dh2o.cas_rerun.out243 DFTTYP=NONE TDDFT =NONE

12345