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Fix comment: short-range HF coefficient is alpha + beta, not alpha - beta (#48)
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include/exchcxx/xc_functional.hpp

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -66,7 +66,7 @@ namespace ExchCXX {
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struct HybCoeffs {
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double alpha = 0.0; // the coefficient of HF part for global hybrid functionals or the coefficient of long-range HF part for range-separated functionals
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double beta = 0.0; // The deduction of the short-range part. Following the notation of libxc. So the real coefficient of short-range HF is alpha - beta
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double beta = 0.0; // The deduction of the short-range part. Following the notation of libxc. So the real coefficient of short-range HF is alpha + beta
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double omega = 0.0; // the range-separation parameter
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bool operator==(const HybCoeffs& other) const {

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