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Searched refs:MAX_SCF (Results 1 – 25 of 2624) sorted by relevance

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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-ot/
H A DH2-diffBECKE-ET_coupling.inp73 MAX_SCF 35
80 MAX_SCF 70
86 MAX_SCF 2
147 MAX_SCF 35
154 MAX_SCF 70
160 MAX_SCF 2
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-ot/
H A DH2-diffBECKE-ET_coupling.inp74 MAX_SCF 35
81 MAX_SCF 70
87 MAX_SCF 2
149 MAX_SCF 35
156 MAX_SCF 70
162 MAX_SCF 2
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-ps-implicit-1-1/
H A DAr_periodic.inp60 MAX_SCF 30
73 MAX_SCF 300
81 MAX_SCF 31
88 MAX_SCF 50
H A DAr_neumann_z_periodic_xy.inp61 MAX_SCF 30
74 MAX_SCF 300
82 MAX_SCF 31
89 MAX_SCF 50
H A DAr_neumann_x_periodic_yz.inp61 MAX_SCF 30
74 MAX_SCF 300
82 MAX_SCF 31
89 MAX_SCF 50
H A DAr_mixed_cylindrical.inp82 MAX_SCF 30
95 MAX_SCF 300
103 MAX_SCF 31
110 MAX_SCF 50
H A DAr_mixed_periodic_aa_planar.inp80 MAX_SCF 30
93 MAX_SCF 300
101 MAX_SCF 31
108 MAX_SCF 50
H A DAr_mixed_cuboidal.inp77 MAX_SCF 30
90 MAX_SCF 300
98 MAX_SCF 31
105 MAX_SCF 50
H A DAr_neumann_yz_periodic_x_dirichlet_xaacyl.inp83 MAX_SCF 30
96 MAX_SCF 300
104 MAX_SCF 31
111 MAX_SCF 50
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-ps-implicit-1-2/
H A DAr_neumann.inp60 MAX_SCF 30
73 MAX_SCF 300
81 MAX_SCF 31
88 MAX_SCF 50
H A DAr_mixed_periodic_cuboidal.inp77 MAX_SCF 30
90 MAX_SCF 300
98 MAX_SCF 31
105 MAX_SCF 50
H A DAr_mixed_periodic_planar.inp78 MAX_SCF 30
91 MAX_SCF 300
99 MAX_SCF 31
106 MAX_SCF 50
H A DAr_mixed_periodic_cylindrical.inp82 MAX_SCF 30
95 MAX_SCF 300
103 MAX_SCF 31
110 MAX_SCF 50
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-ps-implicit-1-1/
H A DAr_periodic.inp60 MAX_SCF 30
73 MAX_SCF 300
81 MAX_SCF 31
88 MAX_SCF 50
H A DAr_neumann_z_periodic_xy.inp61 MAX_SCF 30
74 MAX_SCF 300
82 MAX_SCF 31
89 MAX_SCF 50
H A DAr_neumann_x_periodic_yz.inp61 MAX_SCF 30
74 MAX_SCF 300
82 MAX_SCF 31
89 MAX_SCF 50
H A DAr_mixed_cylindrical.inp82 MAX_SCF 30
95 MAX_SCF 300
103 MAX_SCF 31
110 MAX_SCF 50
H A DAr_mixed_periodic_aa_planar.inp80 MAX_SCF 30
93 MAX_SCF 300
101 MAX_SCF 31
108 MAX_SCF 50
H A DAr_mixed_cuboidal.inp77 MAX_SCF 30
90 MAX_SCF 300
98 MAX_SCF 31
105 MAX_SCF 50
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-ps-implicit-1-2/
H A DAr_neumann.inp60 MAX_SCF 30
73 MAX_SCF 300
81 MAX_SCF 31
88 MAX_SCF 50
H A DAr_mixed_periodic_planar.inp78 MAX_SCF 30
91 MAX_SCF 300
99 MAX_SCF 31
106 MAX_SCF 50
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-ps-implicit-2-1/
H A DH2O_periodic.inp60 MAX_SCF 3
73 MAX_SCF 3
81 MAX_SCF 3
88 MAX_SCF 3
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-ps-implicit-2-1/
H A DH2O_periodic.inp60 MAX_SCF 3
73 MAX_SCF 3
81 MAX_SCF 3
88 MAX_SCF 3
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-ps-implicit-1-3/
H A DAr_mixed_aa_planar.inp79 MAX_SCF 30
92 MAX_SCF 300
100 MAX_SCF 31
107 MAX_SCF 50
H A DAr_mixed_planar.inp78 MAX_SCF 30
91 MAX_SCF 300
99 MAX_SCF 31
106 MAX_SCF 50

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