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@ -35,8 +35,10 @@ Methane
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sr_eps 0.001d0
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energy_tol 1.0E-5
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ncore 0 no_active 0
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nextorb 280 ; nblk_max 200
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ncore 0
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no_active 0
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nextorb 280 ;
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nblk_max 200
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opt_method sr_n
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multiple_adiag no
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@ -48,3 +50,5 @@ Methane
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# Units can be specified after a number
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etrial = -15 Ha
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%endmodule
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# This is a comment
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