Searched refs:nChrg (Results 1 – 1 of 1) sorted by relevance
| /dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_dftb/ |
| H A D | externalcharges.F90 | 31 integer :: nChrg component
112 this%nChrg = nExtCharge
113 allocate(this%coords(3, this%nChrg))
114 allocate(this%charges(this%nChrg))
155 allocate(this%blurWidths(this%nChrg))
203 call sumInvR(env, this%nAtom, this%nChrg, atomCoords, this%coords, this%charges,&
245 call sumInvR(env, this%nAtom, this%nChrg, atomCoords, this%coords, this%charges,&
248 call sumInvR(env, this%nAtom, this%nChrg, atomCoords, this%coords, this%charges,&
323 call addInvRPrime(env, this%nAtom, this%nChrg, atomCoords, this%coords, atomCharges,&
326 call addInvRPrime(env, this%nAtom, this%nChrg, atomCoords, this%coords, atomCharges,&
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