Searched refs:f0sd (Results 1 – 6 of 6) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | semi_empirical_parameters.F | 2896 sep%f0sd = 4.798313_dp
2918 sep%f0sd = 6.560562_dp
2940 sep%f0sd = 6.810021_dp
2962 sep%f0sd = 6.150136_dp
2984 sep%f0sd = 7.690920_dp
3007 sep%f0sd = 9.300165_dp
3029 sep%f0sd = 1.446283_dp
3052 sep%f0sd = 4.651664_dp
3074 sep%f0sd = 9.848807_dp
3241 sep%f0sd = 4.972716_dp
[all …]
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| H A D | semi_empirical_par_utils.F | 319 sep%f0sd = sep%f0sd
731 IF (ABS(sep%f0sd) > EPSILON(0.0_dp)) THEN
732 r016 = sep%f0sd
793 sep%f0sd = r016
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| H A D | semi_empirical_types.F | 82 REAL(KIND=dp) :: f0dd, f2dd, f4dd, f0sd, f0pd, f2pd, & component
318 sep%f0sd = 0.0_dp
795 ADJUSTR("FOSD"), "- "//"Slater Condon Parameter FOSD [eV]: ", sep%f0sd
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | semi_empirical_parameters.F | 2896 sep%f0sd = 4.798313_dp
2918 sep%f0sd = 6.560562_dp
2940 sep%f0sd = 6.810021_dp
2962 sep%f0sd = 6.150136_dp
2984 sep%f0sd = 7.690920_dp
3007 sep%f0sd = 9.300165_dp
3029 sep%f0sd = 1.446283_dp
3052 sep%f0sd = 4.651664_dp
3074 sep%f0sd = 9.848807_dp
3241 sep%f0sd = 4.972716_dp
[all …]
|
| H A D | semi_empirical_par_utils.F | 319 sep%f0sd = sep%f0sd
731 IF (ABS(sep%f0sd) > EPSILON(0.0_dp)) THEN
732 r016 = sep%f0sd
793 sep%f0sd = r016
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| H A D | semi_empirical_types.F | 82 REAL(KIND=dp) :: f0dd, f2dd, f4dd, f0sd, f0pd, f2pd, & component
318 sep%f0sd = 0.0_dp
795 ADJUSTR("FOSD"), "- "//"Slater Condon Parameter FOSD [eV]: ", sep%f0sd
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