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Searched refs:edisp (Results 1 – 25 of 126) sorted by relevance

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/dports/science/dftbplus/dftbplus-19.1/external/dftd3/origin/test/
H A Dtestapi.f90116 real(wp) :: edisp variable
147 call dftd3_dispersion(dftd3, coords, atnum, edisp, grads)
149 write(*, "(A,ES20.12)") "Energy [au]:", edisp
155 call dftd3_pbc_dispersion(dftd3, coords, atnum, latVecs, edisp, grads, stress)
157 write(*, "(A,ES20.12)") "Energy [au]:", edisp
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/scf_dft_cg/
H A Ddft_roks_step_energy.F2 $ eone, etwo, exc, enrep, energy, edisp, g_grad, nexc)
17 double precision eone, etwo, enrep, energy, exc(2), edisp
48 $ edisp, g_grad, rtdb, nexc)
H A Ddft_uks_step_energy.F2 $ eone, etwo, exc, enrep, energy, edisp, g_grad, nexc)
14 double precision eone, etwo, enrep, energy, edisp
40 $ energy, edisp, g_grad, nexc)
H A Ddft_cg_solve.F84 double precision edisp, dum
160 + enrep, edisp, nexc)
165 + exc, enrep, edisp, nexc)
211 if (abs(edisp).gt.0.0d0) write(luout,215) edisp
H A Ddft_roks_energy.F2 $ energy, edisp, g_grad, rtdb, nexc )
20 double precision edisp
55 $ eone, etwo, edisp, Exc,
H A Ddft_uks_nr_solve.F2 + enrep, edisp, nexc)
25 double precision edisp ! Return UKS dispersion correction
167 $ eone, etwo, exc, enrep, energy, edisp, g_grad, nexc)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/scf_dft_cg/
H A Ddft_roks_step_energy.F2 $ eone, etwo, exc, enrep, energy, edisp, g_grad, nexc)
17 double precision eone, etwo, enrep, energy, exc(2), edisp
48 $ edisp, g_grad, rtdb, nexc)
H A Ddft_uks_step_energy.F2 $ eone, etwo, exc, enrep, energy, edisp, g_grad, nexc)
14 double precision eone, etwo, enrep, energy, edisp
40 $ energy, edisp, g_grad, nexc)
H A Ddft_cg_solve.F84 double precision edisp, dum
153 + enrep, edisp, nexc)
158 + exc, enrep, edisp, nexc)
204 if (abs(edisp).gt.0.0d0) write(luout,215) edisp
H A Ddft_roks_energy.F2 $ energy, edisp, g_grad, rtdb, nexc )
20 double precision edisp
55 $ eone, etwo, edisp, Exc,
H A Ddft_uks_nr_solve.F2 + enrep, edisp, nexc)
25 double precision edisp ! Return UKS dispersion correction
167 $ eone, etwo, exc, enrep, energy, edisp, g_grad, nexc)
/dports/science/frontistr/FrontISTR-c66bdc397de319ca59a0565b3f3b1a3b33f0c50c/fistr1/src/analysis/static/
H A Dfstr_NodalStress.f9028 real(kind=kreal) :: ecoord(3, 20), edisp(60), tt(20), t0(20) local
126 edisp(3*j-2:3*j) = fstrSOLID%unode(3*nodLOCAL(j)-2:3*nodLOCAL(j))
151 edisp(6*j-5:6*j-3) = fstrSOLID%unode(3*nodLOCAL(j )-2:3*nodLOCAL(j ))
152 edisp(6*j-2:6*j ) = fstrSOLID%unode(3*nodLOCAL(j+4)-2:3*nodLOCAL(j+4))
173 edisp(6*j-5:6*j-3) = fstrSOLID%unode(3*nodLOCAL(j )-2:3*nodLOCAL(j ))
801 edisp(1,j) = fstrSOLID%unode(6*nodLOCAL(j)-5)
802 edisp(2,j) = fstrSOLID%unode(6*nodLOCAL(j)-4)
803 edisp(3,j) = fstrSOLID%unode(6*nodLOCAL(j)-3)
804 edisp(4,j) = fstrSOLID%unode(6*nodLOCAL(j)-2)
805 edisp(5,j) = fstrSOLID%unode(6*nodLOCAL(j)-1)
[all …]
/dports/net/rclone/rclone-1.57.0/vendor/github.com/go-ole/go-ole/oleutil/
H A Dconnection_windows.go26 if edisp, ok := idisp.(*ole.IUnknown); ok {
27 cookie, err = point.Advise(edisp)
/dports/www/gitlab-workhorse/gitlab-foss-0a901d60f8ae4a60c04ae82e6e9c3a03e9321417/workhorse/vendor/github.com/go-ole/go-ole/oleutil/
H A Dconnection_windows.go26 if edisp, ok := idisp.(*ole.IUnknown); ok {
27 cookie, err = point.Advise(edisp)
/dports/sysutils/helmfile/vault-f6547fa8e820/vendor/github.com/go-ole/go-ole/oleutil/
H A Dconnection_windows.go26 if edisp, ok := idisp.(*ole.IUnknown); ok {
27 cookie, err = point.Advise(edisp)
/dports/net-p2p/go-ethereum/go-ethereum-1.10.14/vendor/github.com/go-ole/go-ole/oleutil/
H A Dconnection_windows.go26 if edisp, ok := idisp.(*ole.IUnknown); ok {
27 cookie, err = point.Advise(edisp)
/dports/sysutils/consul/consul-1.10.3/vendor/github.com/go-ole/go-ole/oleutil/
H A Dconnection_windows.go26 if edisp, ok := idisp.(*ole.IUnknown); ok {
27 cookie, err = point.Advise(edisp)
/dports/sysutils/chezmoi/chezmoi-2.9.3/vendor/github.com/google/gops/vendor/github.com/go-ole/go-ole/oleutil/
H A Dconnection_windows.go26 if edisp, ok := idisp.(*ole.IUnknown); ok {
27 cookie, err = point.Advise(edisp)
/dports/misc/concourse/vault-bdd38fca2cff/vendor/github.com/go-ole/go-ole/oleutil/
H A Dconnection_windows.go26 if edisp, ok := idisp.(*ole.IUnknown); ok {
27 cookie, err = point.Advise(edisp)
/dports/misc/concourse/concourse-6.7.2/vendor/github.com/hashicorp/vault/vendor/github.com/go-ole/go-ole/oleutil/
H A Dconnection_windows.go26 if edisp, ok := idisp.(*ole.IUnknown); ok {
27 cookie, err = point.Advise(edisp)
/dports/www/grafana8/grafana-8.3.6/vendor/github.com/hashicorp/consul/vendor/github.com/go-ole/go-ole/oleutil/
H A Dconnection_windows.go26 if edisp, ok := idisp.(*ole.IUnknown); ok {
27 cookie, err = point.Advise(edisp)
/dports/security/keybase/client-v5.7.1/go/vendor/github.com/go-ole/go-ole/oleutil/
H A Dconnection_windows.go26 if edisp, ok := idisp.(*ole.IUnknown); ok {
27 cookie, err = point.Advise(edisp)
/dports/net-mgmt/thanos/thanos-0.11.0/vendor/github.com/hashicorp/consul/vendor/github.com/go-ole/go-ole/oleutil/
H A Dconnection_windows.go26 if edisp, ok := idisp.(*ole.IUnknown); ok {
27 cookie, err = point.Advise(edisp)
/dports/net-mgmt/prometheus2/prometheus-2.30.3/vendor/github.com/hashicorp/consul/vendor/github.com/go-ole/go-ole/oleutil/
H A Dconnection_windows.go26 if edisp, ok := idisp.(*ole.IUnknown); ok {
27 cookie, err = point.Advise(edisp)
/dports/www/fabio/fabio-1.5.14/vendor/github.com/hashicorp/consul/consul-1.4.2/vendor/github.com/go-ole/go-ole/oleutil/
H A Dconnection_windows.go26 if edisp, ok := idisp.(*ole.IUnknown); ok {
27 cookie, err = point.Advise(edisp)

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