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Searched refs:damp9 (Results 1 – 7 of 7) sorted by relevance

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/nwpwxc/
H A Dnwpwxc_vdw3c.F1818 dc6_rest=ang*damp9
1824 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
1835 tmp1=-dang*c9*damp9+dfdmp/r*c9*ang
1864 tmp1=-dang*c9*damp9+dfdmp/r*c9*ang
1978 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
2013 tmp1=-dang*c9*damp9+dfdmp/r*c9*ang
2133 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
2168 tmp1=-dang*c9*damp9+dfdmp/r*c9*ang
2288 dc6_rest=ang*damp9/6.0d0
2292 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
[all …]
H A Dnwpwxc_vdw3a.patch4595 - dc6_rest=ang*damp9
4601 - dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
4612 - tmp1=-dang*c9*damp9+dfdmp/r*c9*ang
4641 - tmp1=-dang*c9*damp9+dfdmp/r*c9*ang
4737 - dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
4772 - tmp1=-dang*c9*damp9+dfdmp/r*c9*ang
4873 - dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
4908 - tmp1=-dang*c9*damp9+dfdmp/r*c9*ang
5006 - dc6_rest=ang*damp9/6.0d0
5010 - dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/
H A Dnwpwxc_vdw3c.F1818 dc6_rest=ang*damp9
1824 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
1835 tmp1=-dang*c9*damp9+dfdmp/r*c9*ang
1864 tmp1=-dang*c9*damp9+dfdmp/r*c9*ang
1978 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
2013 tmp1=-dang*c9*damp9+dfdmp/r*c9*ang
2133 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
2168 tmp1=-dang*c9*damp9+dfdmp/r*c9*ang
2288 dc6_rest=ang*damp9/6.0d0
2292 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/DFT3-NEW/
H A Dnwpwxc_vdw3c.F1794 dc6_rest=ang*damp9
1800 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
1811 tmp1=-dang*c9*damp9+dfdmp/r*c9*ang
1840 tmp1=-dang*c9*damp9+dfdmp/r*c9*ang
1939 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
1974 tmp1=-dang*c9*damp9+dfdmp/r*c9*ang
2078 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
2113 tmp1=-dang*c9*damp9+dfdmp/r*c9*ang
2214 dc6_rest=ang*damp9/6.0d0
2218 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
[all …]
/dports/science/octopus/octopus-10.5/external_libs/dftd3/
H A Dcore.f903836 dc6_rest=ang*damp9
3842 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
3974 dc6_rest=ang*damp9/2.0d0
3978 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
4107 dc6_rest=ang*damp9/2.0d0
4112 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
4238 damp9=1./(1.+6.*(sr9*r0av)**alp9)
4245 dc6_rest=ang*damp9/6.0d0
4249 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
4259 tmp1=-dang*c9*damp9+dfdmp/r*c9*ang
[all …]
/dports/science/dftbplus/dftbplus-19.1/external/dftd3/origin/lib/
H A Dcore.f903737 dc6_rest=ang*damp9
3743 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
3869 dc6_rest=ang*damp9/2.0d0
3873 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
3998 dc6_rest=ang*damp9/2.0d0
4002 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
4123 damp9=1./(1.+6.*(sr9*r0av)**alp9)
4130 dc6_rest=ang*damp9/6.0d0
4134 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
4143 tmp1=-dang*c9*damp9+dfdmp/r*c9*ang
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/dft-d3/
H A Dcore.f903851 dc6_rest=ang*damp9
3857 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
3989 dc6_rest=ang*damp9/2.0d0
3993 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
4122 dc6_rest=ang*damp9/2.0d0
4127 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
4253 damp9=1./(1.+6.*(sr9*r0av)**alp9)
4260 dc6_rest=ang*damp9/6.0d0
4264 dfdmp=2.d0*alp9*(0.75d0*r0av)**(alp9)*damp9*damp9
4274 tmp1=-dang*c9*damp9+dfdmp/r*c9*ang
[all …]