# | Line 1301 | Line 1301 | contains | |
---|---|---|
1301 | chg1 = getCharge(atid1) | |
1302 | ||
1303 | if (screeningMethod .eq. DAMPED) then | |
1304 | < | mypot = mypot - (c1c * 0.5_dp + & |
1305 | < | dampingAlpha*invRootPi) * chg1 * chg1 |
1304 | > | mypot = mypot - (c1c + alphaPi) * chg1 * chg1 |
1305 | ||
1306 | else | |
1307 | < | mypot = mypot - (rcuti * 0.5_dp * chg1 * chg1) |
1307 | > | mypot = mypot - (rcuti * chg1 * chg1) |
1308 | ||
1309 | endif | |
1310 | endif |
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