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base repository: grimme-lab/xtb
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base: 4114b5c00d27f320936fc141c4c18017eeab7a35
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head repository: grimme-lab/xtb
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compare: 29958241d40a2000841e9b483488b8e1f59b3ebe
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Showing with 1 addition and 1 deletion.
  1. +1 −1 src/docking/search_nci.f90
2 changes: 1 addition & 1 deletion src/docking/search_nci.f90
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Original file line number Diff line number Diff line change
@@ -43,7 +43,7 @@ module xtb_docking_search_nci
use xtb_type_topology, only: TTopology
use xtb_gfnff_ini, only: gfnff_ini
use xtb_topology, only: makeBondTopology
use xtb_sphereparam, only : number_walls, cavity_egrad, wpot
use xtb_sphereparam, only : number_walls, cavity_egrad
use xtb_gfnff_param, only: ini, gfnff_set_param, gfnff_param_alloc,&
& gff_print, gfnff_param_dealloc
use xtb_constrain_param, only: read_userdata