From 96254cd22d61aa6c305a507a2c5eb838af53418d Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Wed, 14 Oct 2020 15:07:35 +0200 Subject: [PATCH] remove examples dir --- GoDuck | Bin 3342232 -> 3342232 bytes GoQCaml | 5 - GoXC | 18 - examples/basis.B.cc-pvdz | 30 -- examples/basis.BF.cc-pvdz | 59 --- examples/basis.BF.cc-pvqz | 98 ---- examples/basis.BF.cc-pvtz | 74 --- examples/basis.BH.cc-pvqz | 73 --- examples/basis.BH2.aug-cc-pvtz | 87 ---- examples/basis.Be++.aug-cc-pvdz | 35 -- examples/basis.Be++.aug-cc-pvqz | 61 --- examples/basis.Be++.aug-cc-pvtz | 54 --- examples/basis.Be++.cc-pvdz | 30 -- examples/basis.Be.6-31+g_star | 26 - examples/basis.Be.6-31g | 22 - examples/basis.Be.6-31g_star | 23 - examples/basis.Be.aug-cc-pvdz | 35 -- examples/basis.Be.aug-cc-pvqz | 61 --- examples/basis.Be.aug-cc-pvtz | 54 --- examples/basis.Be.cc-pv5z | 66 --- examples/basis.Be.cc-pvdz | 30 -- examples/basis.Be.cc-pvqz | 51 -- examples/basis.Be.cc-pvtz | 40 -- examples/basis.Be.sto-3g | 13 - examples/basis.BeF.aug-cc-pvtz | 106 ---- examples/basis.BeH.aug-cc-pvtz | 77 --- examples/basis.Bo | 61 --- examples/basis.C.cc-pvdz | 32 -- examples/basis.C2-cc-pvdz | 58 --- examples/basis.C2.cc-pvdz | 64 --- examples/basis.C2H2.aug-cc-pvtz | 132 ----- examples/basis.C2H3.aug-cc-pvtz | 153 ------ examples/basis.C2H4.aug-cc-pvtz | 174 ------- examples/basis.C3H5.aug-cc-pvtz | 241 --------- examples/basis.CH+.cc-pvqz | 73 --- examples/basis.CH.aug-cc-pvdz | 49 -- examples/basis.CH.aug-cc-pvtz | 66 --- examples/basis.CH.cc-pvdz | 38 -- examples/basis.CH2O.aug-cc-pvdz | 96 ---- examples/basis.CH2O.aug-cc-pvtz | 132 ----- examples/basis.CH3.aug-cc-pvtz | 108 ----- examples/basis.CN.aug-cc-pvtz | 90 ---- examples/basis.CN3.aug-cc-pvdz | 170 ------- examples/basis.CN3.aug-cc-pvtz | 240 --------- examples/basis.CNO.aug-cc-pvtz | 136 ------ examples/basis.CO+.aug-cc-pvtz | 91 ---- examples/basis.CO.aug-cc-pvdz | 72 --- examples/basis.CO.aug-cc-pvtz | 91 ---- examples/basis.CO.cc-pvdz | 58 --- examples/basis.CO.cc-pvqz | 98 ---- examples/basis.CO.cc-pvtz | 74 --- examples/basis.CO.sto-3g | 28 -- examples/basis.CON.aug-cc-pvtz | 135 ------ examples/basis.F.cc-pvdz | 29 -- examples/basis.F2.aug-cc-pvdz | 71 --- examples/basis.F2.cc-pvdz | 58 --- examples/basis.F2.cc-pvqz | 98 ---- examples/basis.F2.cc-pvtz | 74 --- examples/basis.H.cc-pvdz | 9 - examples/basis.H.sto-3g | 5 - examples/basis.H2.6-311g | 18 - examples/basis.H2.6-31g | 15 - examples/basis.H2.aug-cc-pv5z | 89 ---- examples/basis.H2.aug-cc-pvdz | 27 -- examples/basis.H2.aug-cc-pvqz | 62 --- examples/basis.H2.aug-cc-pvtz | 43 -- examples/basis.H2.aug-mcc-pv8z | 207 -------- examples/basis.H2.cc-pvdz | 18 - examples/basis.H2.cc-pvqz | 46 -- examples/basis.H2.cc-pvtz | 30 -- examples/basis.H2.pipis | 6 - examples/basis.H2.sto-3g | 11 - examples/basis.H2O.aug-cc-pvdz | 62 --- examples/basis.H2O.aug-cc-pvtz | 89 ---- examples/basis.H2O.cc-pvdz | 47 -- examples/basis.H2O.cc-pvqz | 96 ---- examples/basis.H2O.cc-pvtz | 69 --- examples/basis.HCO.aug-cc-pvtz | 66 --- examples/basis.HCl.aug-cc-pvdz | 78 --- examples/basis.HCl.aug-cc-pvtz | 102 ---- examples/basis.HCl.cc-pvdz | 68 --- examples/basis.HCl.cc-pvqz | 108 ----- examples/basis.HCl.cc-pvtz | 88 ---- examples/basis.HF.cc-pvqz | 73 --- examples/basis.HF.cc-pvtz | 52 -- examples/basis.HNO++.6-31+g_star | 59 --- examples/basis.HNO.6-31+g_star | 59 --- examples/basis.HNO.aug-cc-pvdz | 83 ---- examples/basis.HNO.aug-cc-pvtz | 111 ----- examples/basis.HOC.aug-cc-pvtz | 111 ----- examples/basis.He.6-31g | 7 - examples/basis.He.aug-cc-pv5z | 45 -- examples/basis.He.aug-cc-pvdz | 14 - examples/basis.He.aug-cc-pvqz | 33 -- examples/basis.He.aug-cc-pvtz | 24 - examples/basis.He.cc-pv5z | 35 -- examples/basis.He.cc-pvdz | 9 - examples/basis.He.cc-pvqz | 25 - examples/basis.He.cc-pvtz | 16 - examples/basis.He.d-aug-cc-pv5z | 54 --- examples/basis.He.d-aug-cc-pvdz | 18 - examples/basis.He.d-aug-cc-pvqz | 41 -- examples/basis.He.d-aug-cc-pvtz | 29 -- examples/basis.He.sto-3g | 6 - examples/basis.HeH+.sto-3g | 11 - examples/basis.Hu | 6 - examples/basis.Li+.cc-pvdz | 30 -- examples/basis.Li.cc-pvdz | 30 -- examples/basis.Li.sto-3g | 14 - examples/basis.LiF.aug-cc-pvdz | 70 --- examples/basis.LiF.cc-pvdz | 58 --- examples/basis.LiF.cc-pvqz | 98 ---- examples/basis.LiF.cc-pvtz | 76 --- examples/basis.LiH.aug-cc-pvdz | 49 -- examples/basis.LiH.cc-pvdz | 38 -- examples/basis.LiH.cc-pvqz | 72 --- examples/basis.LiH.cc-pvtz | 54 --- examples/basis.N2.aug-cc-pvdz | 71 --- examples/basis.N2.aug-cc-pvqz | 118 ----- examples/basis.N2.aug-cc-pvtz | 92 ---- examples/basis.N2.cc-pvdz | 64 --- examples/basis.N2.cc-pvqz | 98 ---- examples/basis.N2.cc-pvtz | 75 --- examples/basis.N2.sadlej+ | 78 --- examples/basis.NCO.aug-cc-pvtz | 136 ------ examples/basis.NH2.aug-cc-pvtz | 87 ---- examples/basis.NO.aug-cc-pvtz | 91 ---- examples/basis.Ne.6-31g | 21 - examples/basis.Ne.6-31g_star | 23 - examples/basis.Ne.cc-pvdz | 29 -- examples/basis.Ne.cc-pvqz | 51 -- examples/basis.Ne.cc-pvtz | 39 -- examples/basis.OH.aug-cc-pvtz | 112 ----- examples/basis.SiH4.aug-cc-pvdz | 119 ----- examples/basis.SiH4.cc-pvdz | 105 ---- examples/basis.SiH4.cc-pvtz | 133 ----- examples/basis.Sp.Pl0 | 3 - examples/basis.Sp.Pl1 | 5 - examples/basis.Sp.Pl2 | 7 - examples/basis.Sp.Pl3 | 9 - examples/basis.Sp.Pl4 | 11 - examples/basis.Sp.Pl5 | 13 - examples/basis.Sph.Ylm0 | 3 - examples/basis.Sph.Ylm1 | 9 - examples/basis.Sph.Ylm10 | 243 ---------- examples/basis.Sph.Ylm11 | 289 ----------- examples/basis.Sph.Ylm12 | 339 ------------- examples/basis.Sph.Ylm13 | 393 --------------- examples/basis.Sph.Ylm14 | 451 ----------------- examples/basis.Sph.Ylm15 | 513 -------------------- examples/basis.Sph.Ylm2 | 19 - examples/basis.Sph.Ylm3 | 33 -- examples/basis.Sph.Ylm4 | 51 -- examples/basis.Sph.Ylm5 | 73 --- examples/basis.Sph.Ylm6 | 99 ---- examples/basis.Sph.Ylm7 | 129 ----- examples/basis.Sph.Ylm8 | 163 ------- examples/basis.Sph.Ylm9 | 201 -------- examples/basis.acrolein.aug-cc-pvdz | 192 -------- examples/basis.butadiene.aug-cc-pvdz | 218 --------- examples/basis.butadiene.cc-pvdz | 172 ------- examples/basis.diacetylene.aug-cc-pvdz | 166 ------- examples/basis.glyoxal.aug-cc-pvdz | 166 ------- examples/molecule.B | 4 - examples/molecule.BF | 5 - examples/molecule.BH | 5 - examples/molecule.BH2 | 6 - examples/molecule.BN | 5 - examples/molecule.Be | 4 - examples/molecule.Be++ | 4 - examples/molecule.Be2 | 5 - examples/molecule.BeF | 5 - examples/molecule.BeH | 5 - examples/molecule.BeO | 5 - examples/molecule.C | 4 - examples/molecule.C2 | 5 - examples/molecule.C2H2 | 7 - examples/molecule.C2H3 | 8 - examples/molecule.C2H4 | 9 - examples/molecule.C3H5 | 11 - examples/molecule.CH | 5 - examples/molecule.CH+ | 5 - examples/molecule.CH2NO2 | 9 - examples/molecule.CH2O | 7 - examples/molecule.CH3 | 7 - examples/molecule.CN | 5 - examples/molecule.CN3 | 11 - examples/molecule.CNO | 6 - examples/molecule.CO | 5 - examples/molecule.CO+ | 5 - examples/molecule.CON | 6 - examples/molecule.F | 4 - examples/molecule.F2 | 5 - examples/molecule.F2BO | 7 - examples/molecule.F2BS | 7 - examples/molecule.H | 4 - examples/molecule.H- | 4 - examples/molecule.H2 | 5 - examples/molecule.H2BO | 7 - examples/molecule.H2O | 6 - examples/molecule.H2PO | 7 - examples/molecule.H2PS | 7 - examples/molecule.HCO | 6 - examples/molecule.HCl | 5 - examples/molecule.HF | 5 - examples/molecule.HNO | 6 - examples/molecule.HNO++ | 6 - examples/molecule.HOC | 3 - examples/molecule.He | 4 - examples/molecule.HeH+ | 5 - examples/molecule.Hu | 5 - examples/molecule.Li | 4 - examples/molecule.Li+ | 4 - examples/molecule.Li2 | 5 - examples/molecule.LiF | 5 - examples/molecule.LiH | 5 - examples/molecule.N2 | 5 - examples/molecule.NCO | 6 - examples/molecule.NH2 | 6 - examples/molecule.NO | 5 - examples/molecule.Ne | 4 - examples/molecule.O2 | 5 - examples/molecule.O3 | 6 - examples/molecule.O3-OM | 6 - examples/molecule.O3-RM | 6 - examples/molecule.O3-TS | 6 - examples/molecule.OH | 5 - examples/molecule.PH2 | 6 - examples/molecule.SiH4 | 8 - examples/molecule.Sph_18 | 4 - examples/molecule.Sph_2 | 4 - examples/molecule.Sph_32 | 4 - examples/molecule.Sph_50 | 4 - examples/molecule.Sph_72 | 4 - examples/molecule.Sph_8 | 4 - examples/molecule.Sph_98 | 4 - examples/molecule.acrolein | 11 - examples/molecule.butadiene | 13 - examples/molecule.diacetylene | 9 - examples/molecule.glyoxal | 9 - input/methods | 4 +- {utils => numgrid-tools}/install_numgrid.sh | 0 src/ADC/Makefile | 4 + src/AOtoMO/Makefile | 4 + src/BasCor/Makefile | 4 + src/CC/Makefile | 4 + src/CI/Makefile | 4 + src/HF/Makefile | 4 + src/MBPT/Makefile | 4 + src/MC/Makefile | 4 + src/MP/Makefile | 4 + src/Makefile | 4 + src/RPA/Makefile | 4 + src/eDFT/US51_lda_exchange_energy.f90 | 2 + src/eDFT/density.f90 | 6 +- src/eDFT/huckel_guess.f90 | 57 --- src/eDFT/mo_guess.f90 | 52 -- src/make_ninja.py | 24 +- src/utils/Makefile | 4 + utils/cp2input | 17 - 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