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Searched refs:LFC (Results 1 – 25 of 139) sorted by relevance

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/dports/net/kea/kea-2.0.1/src/bin/lfc/
H A Dlfc_messages.mes9 This message is issued if LFC detected a failure when trying
13 This message is issued if LFC detected a failure when trying
17 This message is issued if LFC detected a failure when trying
21 This message is issued if LFC detected a failure when trying
25 This message is issued just before LFC starts processing the
33 % LFC_ROTATING LFC rotating files
34 This message is issued just before LFC starts rotating the
37 % LFC_RUNNING LFC instance already running
38 This message is issued if LFC detects that a previous copy of LFC
42 This message is issued as the LFC process starts.
[all …]
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/lfc/
H A Dtest_lf.py5 from gpaw.lfc import LocalizedFunctionsCollection as LFC unknown
13 c = LFC(gd, [[s], [s], [s]])
20 c = LFC(gd, [[s], [s], [s]])
H A Dtest_second_derivative.py3 from gpaw.lfc import LocalizedFunctionsCollection as LFC unknown
14 c = LFC(gd, spline_aj)
H A Dtest_derivatives.py2 from gpaw.lfc import LocalizedFunctionsCollection as LFC unknown
15 c = LFC(gd, spline_aj, cut=True, forces=True)
/dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxlib/nonbonded/
H A Dnb_free_energy.cpp350 real LFC[NSTATES], LFV[NSTATES]; in nb_free_energy_kernel() local
351 LFC[STATE_A] = one - lambda_coul; in nb_free_energy_kernel()
355 LFC[STATE_B] = lambda_coul; in nb_free_energy_kernel()
367 lfac_coul[i] = (lam_power == 2 ? (1 - LFC[i]) * (1 - LFC[i]) : (1 - LFC[i])); in nb_free_energy_kernel()
368 dlfac_coul[i] = DLF[i] * lam_power / sc_r_power * (lam_power == 2 ? (1 - LFC[i]) : 1); in nb_free_energy_kernel()
650 vctot += LFC[i] * Vcoul[i]; in nb_free_energy_kernel()
653 Fscal += LFC[i] * FscalC[i] * rpm2; in nb_free_energy_kernel()
686 vctot += LFC[i] * qq[i] * VV; in nb_free_energy_kernel()
687 Fscal += LFC[i] * qq[i] * FF; in nb_free_energy_kernel()
728 vctot -= LFC[i] * qq[i] * v_lr; in nb_free_energy_kernel()
[all …]
/dports/science/gromacs/gromacs-2021.4/src/gromacs/listed_forces/
H A Dpairs.cpp174 const real LFC[2], in free_energy_evaluate_single()
313 velecsum += LFC[i] * velec[i]; in free_energy_evaluate_single()
316 fscal += (LFC[i] * fscal_elec[i] + LFV[i] * fscal_vdw[i]) * rpm2; in free_energy_evaluate_single()
319 + LFC[i] * alpha_coul_eff * dlfac_coul[i] * fscal_elec[i] * sigma_pow[i]; in free_energy_evaluate_single()
361 real LFC[2], LFV[2], DLF[2], lfac_coul[2], lfac_vdw[2], dlfac_coul[2], dlfac_vdw[2]; in do_pairs_general() local
385 LFC[0] = 1.0 - lambda[efptCOUL]; in do_pairs_general()
387 LFC[1] = lambda[efptCOUL]; in do_pairs_general()
399 lfac_coul[i] = (scParams.lambdaPower == 2 ? (1 - LFC[i]) * (1 - LFC[i]) : (1 - LFC[i])); in do_pairs_general()
401 * (scParams.lambdaPower == 2 ? (1 - LFC[i]) : 1); in do_pairs_general()
499 LFC, LFV, DLF, lfac_coul, lfac_vdw, dlfac_coul, dlfac_vdw, &velec, &vvdw, dvdl); in do_pairs_general()
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/utilities/
H A Dps2ae.py12 from gpaw.lfc import LocalizedFunctionsCollection as LFC unknown
69 self._dphi: Optional[LFC] = None # PAW correction
74 def dphi(self) -> LFC:
95 self._dphi = LFC(self.gd, dphi_aj, kd=self.calc.wfs.kd.copy(),
170 ghat = LFC(self.gd, [setup.ghat_l for setup in dens.setups],
236 dv = LFC(self.gd, dv_a1)
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/xc/
H A Dtest_gga_atom.py6 from gpaw.lfc import LFC
35 pr = LFC(gd, [wt_j])
59 p = LFC(gd, [[s.nct]])
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/poisson/
H A Dtest_poisson.py6 from gpaw.lfc import LocalizedFunctionsCollection as LFC unknown
22 c = LFC(gd, [[s], [s]])
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/
H A Dtest_multipoletest.py8 from gpaw.lfc import LFC
24 ghat_Lg = LFC(gd, [ghat_l])
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/
H A Dpair_overlap.py9 from gpaw.lfc import LocalizedFunctionsCollection as LFC unknown
44 if isinstance(lfc1, LFC) and isinstance(lfc2, LFC):
47 assert not isinstance(lfc1, LFC) and not isinstance(lfc2, LFC)
164 assert isinstance(lfc1, LFC) and isinstance(lfc2, LFC)
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/fd_ops/
H A Dtest_nabla.py2 from gpaw.lfc import LocalizedFunctionsCollection as LFC unknown
20 c = LFC(gd, [splines])
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/dfpt/
H A Dphononperturbation.py11 from gpaw.lfc import LocalizedFunctionsCollection as LFC unknown
69 self.nct = LFC(self.gd, [[setup.nct] for setup in setups],
74 self.ghat = LFC(self.finegd, [setup.ghat_l for setup in setups],
80 self.vbar = LFC(self.finegd, [[setup.vbar] for setup in setups],
H A Dwavefunctions.py6 from gpaw.lfc import LocalizedFunctionsCollection as LFC unknown
41 self.pt = LFC(gd, [setup.pt_j for setup in setups], kd,
/dports/devel/dragon/dragon-1.5.5/
H A Dconfigure.ac27 [location of the LFC headers, defaults to /usr/local/include/lfcbase])],
33 [AS_HELP_STRING([--with-lfc-lib-path], [location of the LFC libraries])],
/dports/devel/lfcxml/lfcxml-1.3.3/
H A Dconfigure.ac43 [location of the LFC headers, defaults to /usr/local/include])],
49 [AS_HELP_STRING([--with-lfc-lib-path], [location of the LFC libraries])],
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/pw/
H A Dtest_lfc.py8 from gpaw.lfc import LocalizedFunctionsCollection as LFC unknown
37 lfc1 = LFC(gd, [[s]], kd, dtype=complex)
/dports/science/grib_api/grib_api-1.28.0-Source/definitions/grib1/localConcepts/efkl/
H A DshortName.def502 'LFC-MU-HPA' = {
518 'LFC-MU-M' = {
722 'LFC-HPA' = {
734 'LFC-M' = {
762 'LFC-500-HPA' = {
774 'LFC-500-M' = {
H A DcfVarName.def502 'LFC-MU-HPA' = {
518 'LFC-MU-M' = {
722 'LFC-HPA' = {
734 'LFC-M' = {
762 'LFC-500-HPA' = {
774 'LFC-500-M' = {
/dports/science/eccodes/eccodes-2.23.0-Source/definitions/grib1/localConcepts/efkl/
H A DcfVarName.def502 'LFC-MU-HPA' = {
518 'LFC-MU-M' = {
722 'LFC-HPA' = {
734 'LFC-M' = {
762 'LFC-500-HPA' = {
774 'LFC-500-M' = {
H A DshortName.def502 'LFC-MU-HPA' = {
518 'LFC-MU-M' = {
722 'LFC-HPA' = {
734 'LFC-M' = {
762 'LFC-500-HPA' = {
774 'LFC-500-M' = {
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/radial/
H A Dtest_two_phi_plw_integrals.py7 from gpaw.lfc import LocalizedFunctionsCollection as LFC unknown
22 c = LFC(gd, [splines])
/dports/databases/cegobridge/cegobridge-1.6.1/
H A Dconfigure.ac30 [location of the LFC headers, defaults to /usr/local/include])],
36 [AS_HELP_STRING([--with-lfc-lib-path], [location of the LFC libraries])],
/dports/databases/cego/cego-2.47.11/
H A Dconfigure.ac46 [location of the LFC headers, defaults to /usr/local/include])],
52 [AS_HELP_STRING([--with-lfc-lib-path], [location of the LFC libraries])],
/dports/devel/lfcbase/lfcbase-1.16.2/
H A DAUTHORS1 LFC ( Lemke Foundation Classes ) was designed and implemented by Bjoern Lemke

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