/dports/net/kea/kea-2.0.1/src/bin/lfc/ |
H A D | lfc_messages.mes | 9 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 …]
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/lfc/ |
H A D | test_lf.py | 5 from gpaw.lfc import LocalizedFunctionsCollection as LFC unknown 13 c = LFC(gd, [[s], [s], [s]]) 20 c = LFC(gd, [[s], [s], [s]])
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H A D | test_second_derivative.py | 3 from gpaw.lfc import LocalizedFunctionsCollection as LFC unknown 14 c = LFC(gd, spline_aj)
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H A D | test_derivatives.py | 2 from gpaw.lfc import LocalizedFunctionsCollection as LFC unknown 15 c = LFC(gd, spline_aj, cut=True, forces=True)
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/dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxlib/nonbonded/ |
H A D | nb_free_energy.cpp | 350 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 …]
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/dports/science/gromacs/gromacs-2021.4/src/gromacs/listed_forces/ |
H A D | pairs.cpp | 174 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()
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/utilities/ |
H A D | ps2ae.py | 12 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)
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/xc/ |
H A D | test_gga_atom.py | 6 from gpaw.lfc import LFC 35 pr = LFC(gd, [wt_j]) 59 p = LFC(gd, [[s.nct]])
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/poisson/ |
H A D | test_poisson.py | 6 from gpaw.lfc import LocalizedFunctionsCollection as LFC unknown 22 c = LFC(gd, [[s], [s]])
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/ |
H A D | test_multipoletest.py | 8 from gpaw.lfc import LFC 24 ghat_Lg = LFC(gd, [ghat_l])
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/ |
H A D | pair_overlap.py | 9 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)
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/fd_ops/ |
H A D | test_nabla.py | 2 from gpaw.lfc import LocalizedFunctionsCollection as LFC unknown 20 c = LFC(gd, [splines])
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/dfpt/ |
H A D | phononperturbation.py | 11 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],
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H A D | wavefunctions.py | 6 from gpaw.lfc import LocalizedFunctionsCollection as LFC unknown 41 self.pt = LFC(gd, [setup.pt_j for setup in setups], kd,
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/dports/devel/dragon/dragon-1.5.5/ |
H A D | configure.ac | 27 [location of the LFC headers, defaults to /usr/local/include/lfcbase])], 33 [AS_HELP_STRING([--with-lfc-lib-path], [location of the LFC libraries])],
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/dports/devel/lfcxml/lfcxml-1.3.3/ |
H A D | configure.ac | 43 [location of the LFC headers, defaults to /usr/local/include])], 49 [AS_HELP_STRING([--with-lfc-lib-path], [location of the LFC libraries])],
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/pw/ |
H A D | test_lfc.py | 8 from gpaw.lfc import LocalizedFunctionsCollection as LFC unknown 37 lfc1 = LFC(gd, [[s]], kd, dtype=complex)
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/dports/science/grib_api/grib_api-1.28.0-Source/definitions/grib1/localConcepts/efkl/ |
H A D | shortName.def | 502 'LFC-MU-HPA' = { 518 'LFC-MU-M' = { 722 'LFC-HPA' = { 734 'LFC-M' = { 762 'LFC-500-HPA' = { 774 'LFC-500-M' = {
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H A D | cfVarName.def | 502 'LFC-MU-HPA' = { 518 'LFC-MU-M' = { 722 'LFC-HPA' = { 734 'LFC-M' = { 762 'LFC-500-HPA' = { 774 'LFC-500-M' = {
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/dports/science/eccodes/eccodes-2.23.0-Source/definitions/grib1/localConcepts/efkl/ |
H A D | cfVarName.def | 502 'LFC-MU-HPA' = { 518 'LFC-MU-M' = { 722 'LFC-HPA' = { 734 'LFC-M' = { 762 'LFC-500-HPA' = { 774 'LFC-500-M' = {
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H A D | shortName.def | 502 'LFC-MU-HPA' = { 518 'LFC-MU-M' = { 722 'LFC-HPA' = { 734 'LFC-M' = { 762 'LFC-500-HPA' = { 774 'LFC-500-M' = {
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/radial/ |
H A D | test_two_phi_plw_integrals.py | 7 from gpaw.lfc import LocalizedFunctionsCollection as LFC unknown 22 c = LFC(gd, [splines])
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/dports/databases/cegobridge/cegobridge-1.6.1/ |
H A D | configure.ac | 30 [location of the LFC headers, defaults to /usr/local/include])], 36 [AS_HELP_STRING([--with-lfc-lib-path], [location of the LFC libraries])],
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/dports/databases/cego/cego-2.47.11/ |
H A D | configure.ac | 46 [location of the LFC headers, defaults to /usr/local/include])], 52 [AS_HELP_STRING([--with-lfc-lib-path], [location of the LFC libraries])],
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/dports/devel/lfcbase/lfcbase-1.16.2/ |
H A D | AUTHORS | 1 LFC ( Lemke Foundation Classes ) was designed and implemented by Bjoern Lemke
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