TREX
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fparser
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Ravindra Shinde 2021-03-30 16:18:35 +02:00 committed by GitHub
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1 changed files with 6 additions and 2 deletions
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parser/test.inp
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@ -35,8 +35,10 @@ Methane
sr_eps 0.001d0
energy_tol 1.0E-5
ncore 0 no_active 0
nextorb 280 ; nblk_max 200
ncore 0
no_active 0
nextorb 280 ;
nblk_max 200
opt_method sr_n
multiple_adiag no
@ -48,3 +50,5 @@ Methane
# Units can be specified after a number
etrial = -15 Ha
%endmodule
# This is a comment