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Searched +path:h2o +path:. +path:s005 (Results 1 – 24 of 24) sorted by relevance

/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/REFERENCE/QMCPACK/SJ/Jastrow/1J/
H A DH2O.s005.qmc.xml
H A DH2O.s005.scalar.dat
/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/REFERENCE/QMCPACK/SJ/SPOrbitals/BLYP/
H A DH2O.s005.scalar.dat
H A DH2O.s005.qmc.xml
/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/REFERENCE/QMCPACK/SJ/SPOrbitals/PBE/
H A DH2O.s005.qmc.xml
H A DH2O.s005.scalar.dat
/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/REFERENCE/QMCPACK/SJ/First_Run/Optimize/
H A DH2O.s005.qmc.xml
H A DH2O.s005.scalar.dat
/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/REFERENCE/QMCPACK/SJ/Jastrow/2J/
H A DH2O.s005.qmc.xml
H A DH2O.s005.scalar.dat
/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/REFERENCE/QMCPACK/SJ/SPOrbitals/B3LYP/
H A DH2O.s005.qmc.xml
H A DH2O.s005.scalar.dat
/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/REFERENCE/QMCPACK/SJ/SPOrbitals/PBE0/
H A DH2O.s005.scalar.dat
H A DH2O.s005.qmc.xml
/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/REFERENCE/QMCPACK/SJ/Jastrow/1-2-3J/
H A DH2O.s005.qmc.xml
H A DH2O.s005.scalar.dat
/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/REFERENCE/QMCPACK/SJ/Jastrow/1-2J/
H A DH2O.s005.qmc.xml
H A DH2O.s005.scalar.dat
/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/REFERENCE/QMCPACK/MSD/CASCI/thr0.01/
H A DH2O.s005.qmc.xml
H A DH2O.s005.scalar.dat
/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/REFERENCE/QMCPACK/MSD/SOCI/thr0.01/
H A DH2O.s005.qmc.xml
H A DH2O.s005.scalar.dat
/dports/science/qmcpack/qmcpack-3.11.0/labs/lab3_advanced_molecules/REFERENCE/QMCPACK/MSD/CISD/thr0.01/
H A DH2O.s005.scalar.dat
H A DH2O.s005.qmc.xml