# | Line 91 | Line 91 | module electrostatic_module | |
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91 | logical, save :: is_Damped_Wolf = .false. | |
92 | ||
93 | ||
94 | + | ! error function |
95 | + | double precision, external :: derfc |
96 | + | |
97 | public :: setElectrostaticSummationMethod | |
98 | public :: setElectrostaticCutoffRadius | |
99 | public :: setDampedWolfAlpha | |
# | Line 387 | Line 390 | contains | |
390 | endif | |
391 | ||
392 | constEXP = exp(-dampingAlpha*dampingAlpha*defaultCutoff*defaultCutoff) | |
393 | < | constERFC = erfc(dampingAlpha*defaultCutoff) |
393 | > | constERFC = derfc(dampingAlpha*defaultCutoff) |
394 | ||
395 | haveDWAconstants = .true. | |
396 | endif |
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