nwchem-common-7.2.3-1.fc40 in Fedora 40
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Package Info
🠗 Changelog
🠗 Provides
🠗 Files
Changelog
| Date | Author | Change |
|---|---|---|
| 2024-09-24 | Marcin Dulak <marcindulak at fedoraproject dot org> - 7.2.3-1 | - New upstream release |
| 2024-08-07 | Miroslav Suchý <msuchy at redhat dot com> - 7.2.2-8 | - convert license to SPDX |
| 2024-07-18 | Fedora Release Engineering <releng at fedoraproject dot org> - 7.2.2-7 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild |
| 2024-06-08 | Python Maint <python dash maint at redhat dot com> - 7.2.2-6 | - Rebuilt for Python 3.13 |
| 2024-02-16 | Marcin Dulak <marcindulak at fedoraproject dot org> - 7.2.2-5 | - Patch for implicit declaration of function ‘Py_SetProgramName' https://github.com/nwchemgit/nwchem/issues/950 |
| 2024-01-25 | Fedora Release Engineering <releng at fedoraproject dot org> - 7.2.2-4 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild |
| 2024-01-21 | Fedora Release Engineering <releng at fedoraproject dot org> - 7.2.2-3 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild |
| 2023-11-10 | Marcin Dulak <marcindulak at fedoraproject dot org> - 7.2.2-2 | - Fix verbose mpich output truncation https://github.com/nwchemgit/nwchem/issues/895 |
| 2023-11-06 | Marcin Dulak <marcindulak at fedoraproject dot org> - 7.2.2-1 | - New upstream release - Print outputs of failed tests https://github.com/nwchemgit/nwchem/issues/895 |
| 2023-10-20 | Marcin Dulak <marcindulak at fedoraproject dot org> - 7.2.1-1 | - New upstream release |
Provides
- config(nwchem-common)
- nwchem-common
Files
- etc/
- nwchemrc
- profile.d/
- nwchem.csh
- nwchem.sh
- usr/
- share/
- doc/
- nwchem-common/
- LICENSE.TXT
- nwchem-common/
- nwchem/
- amber_q/
- ABE.frg
- BNZ.frg
- BTH.frg
- BTH.sgm
- BTO.frg
- BTO.sgm
- BUT.frg
- BUT.sgm
- CA.frg
- CTR.frg
- Ca.sgm
- DTT.frg
- EAM.frg
- FUC.sgm
- G31.frg
- G61.frg
- G64.frg
- GA1.frg
- GA2.frg
- GA3.frg
- GA3.sgm
- GAL.frg
- GAO.frg
- GC1.frg
- GC2.frg
- GC2.sgm
- GC3.sgm
- GCN.frg
- GDP.frg
- GL1.frg
- GL2.frg
- GL3.frg
- GL4.frg
- GL4.sgm
- GL5.frg
- GL5.sgm
- GL6.frg
- GL6.sgm
- GL7.frg
- GL7.sgm
- GL8.sgm
- GLT.sgm
- GNP.frg
- GTL.sgm
- GTP.frg
- HDH.frg
- HDH.sgm
- HDO.frg
- HDO.sgm
- HED.sgm
- HEM.frg
- HEP.frg
- HEP.sgm
- HP1.frg
- HP2.frg
- HP3.frg
- HP4.frg
- HP4.sgm
- HP5.frg
- HP5.sgm
- HPD.frg
- HXO.frg
- IPS.frg
- KD1.frg
- KD2.frg
- KD3.frg
- KD4.frg
- KD4.sgm
- KD5.frg
- KD5.sgm
- KDN.frg
- LCX.frg
- LPO.sgm
- MA2.sgm
- MA3.sgm
- MA4.sgm
- MAN.frg
- NH4.frg
- NTR.frg
- Na.sgm
- O4P.frg
- PET.frg
- PET.sgm
- PNT.frg
- PO4.frg
- PO4.sgm
- PPO.frg
- RH2.frg
- RH2.sgm
- RH3.sgm
- RHA.frg
- SEP.frg
- SO4.frg
- TPO.frg
- amber.par
- coc.frg
- etl.frg
- ions.par
- lps_Pa/
- BTH.frg
- BTH.sgm
- BTO.frg
- BTO.sgm
- BUT.frg
- BUT.sgm
- GA3.frg
- GA3.sgm
- GC3.sgm
- GL4.frg
- GL4.sgm
- GL5.frg
- GL5.sgm
- GL6.frg
- GL6.sgm
- GL7.frg
- GL7.sgm
- HDH.frg
- HDH.sgm
- HDO.frg
- HDO.sgm
- HEP.frg
- HEP.sgm
- HP4.frg
- HP4.sgm
- HP5.frg
- HP5.sgm
- KD4.frg
- KD4.sgm
- KD5.frg
- KD5.sgm
- PET.frg
- PET.sgm
- PO4.frg
- PO4.sgm
- RH2.frg
- RH2.sgm
- lps_ec/
- BU1.frg
- BU2.frg
- GA1.frg
- GL1.frg
- GL2.frg
- GL3.frg
- GN1.frg
- GN2.frg
- HE1.frg
- HE2.frg
- HE3.frg
- HE4.frg
- KD1.frg
- KD2.frg
- PO4.frg
- POC.frg
- POH.frg
- PT1.frg
- PT2.frg
- amber_s/
- ACE.frg
- ACE_N.sgm
- ALA.frg
- ALA.sgm
- ALA_C.frg
- ALA_C.sgm
- ALA_N.frg
- ALA_N.sgm
- ARG.frg
- ARG.sgm
- ARG_C.frg
- ARG_C.sgm
- ARG_N.frg
- ARG_N.sgm
- ASH.frg
- ASH.sgm
- ASN.frg
- ASN.sgm
- ASN_C.frg
- ASN_C.sgm
- ASN_N.frg
- ASN_N.sgm
- ASP.frg
- ASP.sgm
- ASP_C.frg
- ASP_C.sgm
- ASP_N.frg
- ASP_N.sgm
- CYM.frg
- CYS.frg
- CYS.sgm
- CYS_C.frg
- CYS_C.sgm
- CYS_N.frg
- CYS_N.sgm
- CYX.frg
- CYX.sgm
- CYX1.sgm
- CYX2.sgm
- CYX_C.frg
- CYX_C.sgm
- CYX_N.frg
- Cl.frg
- Cl.sgm
- DA.frg
- DA_3.frg
- DA_5.frg
- DA_M.frg
- DC.frg
- DC_3.frg
- DC_5.frg
- DC_M.frg
- DG.frg
- DG_3.frg
- DG_5.frg
- DG_M.frg
- DT.frg
- DT_3.frg
- DT_5.frg
- DT_M.frg
- FE.frg
- GLH.frg
- GLH.sgm
- GLN.frg
- GLN.sgm
- GLN_C.frg
- GLN_C.sgm
- GLN_N.frg
- GLN_N.sgm
- GLU.frg
- GLU.sgm
- GLU_C.frg
- GLU_C.sgm
- GLU_N.frg
- GLU_N.sgm
- GLY.frg
- GLY.sgm
- GLY_C.frg
- GLY_C.sgm
- GLY_N.frg
- GLY_N.sgm
- HID.frg
- HID.sgm
- HID_C.frg
- HID_C.sgm
- HID_N.frg
- HID_N.sgm
- HIE.frg
- HIE.sgm
- HIE_C.frg
- HIE_C.sgm
- HIE_N.frg
- HIE_N.sgm
- HIP.frg
- HIP.sgm
- HIP_C.frg
- HIP_C.sgm
- HIP_N.frg
- HIP_N.sgm
- HOH.frg
- ILE.frg
- ILE.sgm
- ILE_C.frg
- ILE_C.sgm
- ILE_N.frg
- ILE_N.sgm
- IM.frg
- IM.sgm
- IP.frg
- K.frg
- K.sgm
- LEU.frg
- LEU.sgm
- LEU_C.frg
- LEU_C.sgm
- LEU_N.frg
- LEU_N.sgm
- LYN.frg
- LYS.frg
- LYS.sgm
- LYS_C.frg
- LYS_C.sgm
- LYS_N.frg
- LYS_N.sgm
- Li.frg
- MET.frg
- MET.sgm
- MET_C.frg
- MET_C.sgm
- MET_N.frg
- MET_N.sgm
- MG.frg
- NME.frg
- NME_C.sgm
- Na.frg
- Na.sgm
- PHE.frg
- PHE.sgm
- PHE_C.frg
- PHE_C.sgm
- PHE_N.frg
- PHE_N.sgm
- PRO.frg
- PRO.sgm
- PRO_C.frg
- PRO_C.sgm
- PRO_N.frg
- PRO_N.sgm
- RA.frg
- RA_3.frg
- RA_5.frg
- RA_M.frg
- RC.frg
- RC_3.frg
- RC_5.frg
- RC_M.frg
- RG.frg
- RG_3.frg
- RG_5.frg
- RG_M.frg
- RU.frg
- RU_3.frg
- RU_5.frg
- RU_M.frg
- SER.frg
- SER.sgm
- SER_C.frg
- SER_C.sgm
- SER_N.frg
- SER_N.sgm
- SPC_M.sgm
- THR.frg
- THR.sgm
- THR_C.frg
- THR_C.sgm
- THR_N.frg
- THR_N.sgm
- TRP.frg
- TRP.sgm
- TRP_C.frg
- TRP_C.sgm
- TRP_N.frg
- TRP_N.sgm
- TYR.frg
- TYR.sgm
- TYR_C.frg
- TYR_C.sgm
- TYR_N.frg
- TYR_N.sgm
- VAL.frg
- VAL.sgm
- VAL_C.frg
- VAL_C.sgm
- VAL_N.frg
- VAL_N.sgm
- ZN.frg
- amber.par
- amber95.par
- amber_t/
- amber.par
- amber_u/
- CTT.frg
- amber.par
- amber_x/
- amber.par
- clfm.sgm
- glycam.par
- meoh.sgm
- spce.sgm
- thfs.sgm
- charmm_s/
- ALA.frg
- ALA_C.frg
- ALA_N.frg
- ARG.frg
- ARG_C.frg
- ARG_N.frg
- ASN.frg
- ASN_C.frg
- ASN_N.frg
- ASP.frg
- ASP_C.frg
- ASP_N.frg
- CO.frg
- CYS.frg
- CYS_C.frg
- CYS_N.frg
- CYX.frg
- CYX_C.frg
- CYX_N.frg
- DUM.frg
- GLN.frg
- GLN_C.frg
- GLN_N.frg
- GLU.frg
- GLU_C.frg
- GLU_N.frg
- GLY.frg
- GLY_C.frg
- GLY_N.frg
- HEME.frg
- HSD.frg
- HSD_C.frg
- HSD_N.frg
- HSE.frg
- HSE_C.frg
- HSE_N.frg
- HSP.frg
- HSP_C.frg
- HSP_N.frg
- ILE.frg
- ILE_C.frg
- ILE_N.frg
- LEU.frg
- LEU_C.frg
- LEU_N.frg
- LYS.frg
- LYS_C.frg
- LYS_N.frg
- MET.frg
- MET_C.frg
- MET_N.frg
- O2.frg
- PHE.frg
- PHE_C.frg
- PHE_N.frg
- PRO.frg
- PRO_C.frg
- PRO_N.frg
- SER.frg
- SER_C.frg
- SER_N.frg
- THR.frg
- THR_C.frg
- THR_N.frg
- TIP3.frg
- TP3M.frg
- TRP.frg
- TRP_C.frg
- TRP_N.frg
- TYR.frg
- TYR_C.frg
- TYR_N.frg
- VAL.frg
- VAL_C.frg
- VAL_N.frg
- ZN2.frg
- charmm.par
- par_all27_na_lipid.par
- par_all27_prot_lipid.par
- par_all27_prot_na.par
- par_all32_lipid.par
- par_all35_ethers.par
- charmm_x/
- GLU_C.frg
- MET_N.frg
- Na.frg
- Na_M.frg
- spce.sgm
- spce_M.sgm
- compile_mpich.sh
- compile_openmpi.sh
- libraries/
- 2zapa-nr
- 2zapa-nr_cv
- 3-21++g
- 3-21++gs
- 3-21g
- 3-21gs
- 3-21gs_polarization
- 3-21gsp
- 3zapa-nr
- 3zapa-nr_cv
- 4-22gsp
- 4-31g
- 4zapa-nr
- 4zapa-nr_cv
- 5zapa-nr
- 5zapa-nr_cv
- 5zp
- 5zp-dkh
- 6-31++g
- 6-31++gs
- 6-31++gss
- 6-31++gss-j
- 6-31+g
- 6-31+gs
- 6-31+gs-j
- 6-31+gss
- 6-311++g
- 6-311++g2d_2p
- 6-311++g3df_3pd
- 6-311++gs
- 6-311++gss
- 6-311++gss-j
- 6-311+g
- 6-311+g2d_p
- 6-311+gs
- 6-311+gs-j
- 6-311+gss
- 6-311g
- 6-311g-j
- 6-311g2df_2pd
- 6-311gs
- 6-311gs_polarization
- 6-311gss
- 6-311gss_polarization
- 6-31g
- 6-31g-blaudeau
- 6-31g-j
- 6-31g2df_p
- 6-31g3df_3pd
- 6-31gs
- 6-31gs-blaudeau
- 6-31gs_polarization
- 6-31gss
- 6-31gss_polarization
- 6zapa-nr
- 6zp
- 6zp-dkh
- 7zapa-nr
- a5zp
- adzp
- ahlrichs_coulomb_fitting
- ahlrichs_polarization
- ahlrichs_pvdz
- ahlrichs_tzv
- ahlrichs_vdz
- ahlrichs_vtz
- ano-rcc
- apr-cc-pvq+dz
- aqzp
- atzp
- aug-cc-pcv5z
- aug-cc-pcvdz
- aug-cc-pcvqz
- aug-cc-pcvt+dz
- aug-cc-pcvtz
- aug-cc-pv5+dz
- aug-cc-pv5+dz_diffuse
- aug-cc-pv5z
- aug-cc-pv5z-dk
- aug-cc-pv5z-dk_diffuse
- aug-cc-pv5z-nr_mp2_fitting
- aug-cc-pv5z-pp
- aug-cc-pv5z-pp-ri_diffuse
- aug-cc-pv5z-pp_diffuse
- aug-cc-pv5z-pp_mp2_fitting
- aug-cc-pv5z-pp_optri
- aug-cc-pv5z-ri_diffuse
- aug-cc-pv5z_diffuse
- aug-cc-pv5z_optri
- aug-cc-pv6+dz
- aug-cc-pv6+dz_diffuse
- aug-cc-pv6z
- aug-cc-pv6z-ri_diffuse
- aug-cc-pv6z_diffuse
- aug-cc-pv7+dz
- aug-cc-pv7z
- aug-cc-pvd+dz
- aug-cc-pvd+dz_diffuse
- aug-cc-pvdz
- aug-cc-pvdz-dk
- aug-cc-pvdz-dk_diffuse
- aug-cc-pvdz-pp
- aug-cc-pvdz-pp-ri_diffuse
- aug-cc-pvdz-pp_diffuse
- aug-cc-pvdz-pp_mp2_fitting
- aug-cc-pvdz-pp_optri
- aug-cc-pvdz-ri_diffuse
- aug-cc-pvdz_diffuse
- aug-cc-pvdz_optri
- aug-cc-pvq+dz
- aug-cc-pvq+dz_diffuse
- aug-cc-pvqz
- aug-cc-pvqz-dk
- aug-cc-pvqz-dk_diffuse
- aug-cc-pvqz-nr_mp2_fitting
- aug-cc-pvqz-pp
- aug-cc-pvqz-pp-ri_diffuse
- aug-cc-pvqz-pp_diffuse
- aug-cc-pvqz-pp_mp2_fitting
- aug-cc-pvqz-pp_optri
- aug-cc-pvqz-ri_diffuse
- aug-cc-pvqz_diffuse
- aug-cc-pvqz_optri
- aug-cc-pvt+dz
- aug-cc-pvt+dz_diffuse
- aug-cc-pvtz
- aug-cc-pvtz-dk
- aug-cc-pvtz-dk_diffuse
- aug-cc-pvtz-j
- aug-cc-pvtz-pp
- aug-cc-pvtz-pp-ri_diffuse
- aug-cc-pvtz-pp_diffuse
- aug-cc-pvtz-pp_mp2_fitting
- aug-cc-pvtz-pp_optri
- aug-cc-pvtz-ri_diffuse
- aug-cc-pvtz_diffuse
- aug-cc-pvtz_mp2_fitting
- aug-cc-pvtz_optri
- aug-cc-pwcv5z
- aug-cc-pwcv5z-dk
- aug-cc-pwcv5z-nr
- aug-cc-pwcv5z-pp_mp2_fitting
- aug-cc-pwcv5z-pp_optri
- aug-cc-pwcvdz
- aug-cc-pwcvdz-pp_mp2_fitting
- aug-cc-pwcvdz-pp_optri
- aug-cc-pwcvqz
- aug-cc-pwcvqz-dk
- aug-cc-pwcvqz-nr
- aug-cc-pwcvqz-pp_mp2_fitting
- aug-cc-pwcvqz-pp_optri
- aug-cc-pwcvtz
- aug-cc-pwcvtz-dk
- aug-cc-pwcvtz-nr
- aug-cc-pwcvtz-nr_mp2_fitting
- aug-cc-pwcvtz-pp_mp2_fitting
- aug-cc-pwcvtz-pp_optri
- aug-mcc-pv5z
- aug-mcc-pv6z
- aug-mcc-pv7z
- aug-mcc-pv8z
- aug-mcc-pvqz
- aug-mcc-pvtz
- aug-pc-0
- aug-pc-1
- aug-pc-2
- aug-pc-3
- aug-pc-4
- aug-pc-infinity
- aug-pcj-0
- aug-pcj-0_2006
- aug-pcj-1
- aug-pcj-1_2006
- aug-pcj-2
- aug-pcj-2_2006
- aug-pcj-3
- aug-pcj-3_2006
- aug-pcj-4
- aug-pcj-4_2006
- aug-pcs-0
- aug-pcs-1
- aug-pcs-2
- aug-pcs-3
- aug-pcs-4
- aug-pcseg-0
- aug-pcseg-1
- aug-pcseg-2
- aug-pcseg-3
- aug-pcseg-4
- aug-pcsseg-0
- aug-pcsseg-1
- aug-pcsseg-2
- aug-pcsseg-3
- aug-pcsseg-4
- aug-pv7z
- aug-pv7z_diffuse
- b2_basis_set_for_zn
- bauschlicher_ano
- binning-curtiss_1d_polarization
- binning-curtiss_df_polarization
- binning_curtiss_sv
- binning_curtiss_svp
- binning_curtiss_vtz
- binning_curtiss_vtzp
- blaudeau_polarization
- cc-pcv5z
- cc-pcv6z
- cc-pcv6zold
- cc-pcvdz
- cc-pcvdz-f12
- cc-pcvdz-f12_mp2_fitting
- cc-pcvdz-f12_optri
- cc-pcvdzold
- cc-pcvqz
- cc-pcvqz-f12
- cc-pcvqz-f12_mp2_fitting
- cc-pcvqz-f12_optri
- cc-pcvqzold
- cc-pcvtz
- cc-pcvtz-f12
- cc-pcvtz-f12_mp2_fitting
- cc-pcvtz-f12_optri
- cc-pcvtzold
- cc-pv5+dz
- cc-pv5+dz-ri
- cc-pv5z
- cc-pv5z-dk
- cc-pv5z-nr_mp2_fitting
- cc-pv5z-pp
- cc-pv5z-pp-ri
- cc-pv5z-pp_mp2_fitting
- cc-pv5z-ri
- cc-pv5zfi_sf_fw
- cc-pv5zfi_sf_lc
- cc-pv5zfi_sf_sc
- cc-pv5zpt_sf_fw
- cc-pv5zpt_sf_lc
- cc-pv5zpt_sf_sc
- cc-pv6+dz
- cc-pv6+dz-ri
- cc-pv6z
- cc-pv6z-ri
- cc-pv8z
- cc-pv9z
- cc-pvd+dz
- cc-pvd+dz-ri
- cc-pvdz
- cc-pvdz-dk
- cc-pvdz-dk3
- cc-pvdz-f12
- cc-pvdz-f12_mp2_fitting
- cc-pvdz-f12_optri
- cc-pvdz-fit2-1
- cc-pvdz-pp
- cc-pvdz-pp-ri
- cc-pvdz-pp_mp2_fitting
- cc-pvdz-ri
- cc-pvdzfi_sf_fw
- cc-pvdzfi_sf_lc
- cc-pvdzfi_sf_sc
- cc-pvdzpt_sf_fw
- cc-pvdzpt_sf_lc
- cc-pvdzpt_sf_sc
- cc-pvdzseg-opt
- cc-pvq+dz
- cc-pvq+dz-ri
- cc-pvqz
- cc-pvqz-dk
- cc-pvqz-dk3
- cc-pvqz-f12
- cc-pvqz-f12_mp2_fitting
- cc-pvqz-f12_optri
- cc-pvqz-nr_mp2_fitting
- cc-pvqz-pp
- cc-pvqz-pp-ri
- cc-pvqz-pp_mp2_fitting
- cc-pvqz-ri
- cc-pvqzfi_sf_fw
- cc-pvqzfi_sf_lc
- cc-pvqzfi_sf_sc
- cc-pvqzpt_sf_fw
- cc-pvqzpt_sf_lc
- cc-pvqzpt_sf_sc
- cc-pvqzseg-opt
- cc-pvt+dz
- cc-pvt+dz+
- cc-pvt+dz-dk
- cc-pvt+dz-ri
- cc-pvtz
- cc-pvtz-dk
- cc-pvtz-dk3
- cc-pvtz-f12
- cc-pvtz-f12_mp2_fitting
- cc-pvtz-f12_optri
- cc-pvtz-fit2-1
- cc-pvtz-pp
- cc-pvtz-pp-ri
- cc-pvtz-pp_mp2_fitting
- cc-pvtz-ri
- cc-pvtz_mp2_fitting
- cc-pvtzfi_sf_fw
- cc-pvtzfi_sf_lc
- cc-pvtzfi_sf_sc
- cc-pvtzpt_sf_fw
- cc-pvtzpt_sf_lc
- cc-pvtzpt_sf_sc
- cc-pvtzseg-opt
- cc-pwcv5z
- cc-pwcv5z-dk
- cc-pwcv5z-nr
- cc-pwcv5z-pp
- cc-pwcv5z-pp_mp2_fitting
- cc-pwcv5z-ri
- cc-pwcv5z-ri_tight
- cc-pwcv5z_core_set
- cc-pwcv5z_tight
- cc-pwcvdz
- cc-pwcvdz-dk3
- cc-pwcvdz-pp
- cc-pwcvdz-pp_mp2_fitting
- cc-pwcvdz-ri
- cc-pwcvdz-ri_tight
- cc-pwcvdz_tight
- cc-pwcvqz
- cc-pwcvqz-dk
- cc-pwcvqz-dk3
- cc-pwcvqz-nr
- cc-pwcvqz-pp
- cc-pwcvqz-pp_mp2_fitting
- cc-pwcvqz-ri
- cc-pwcvqz-ri_tight
- cc-pwcvqz_tight
- cc-pwcvtz
- cc-pwcvtz-dk
- cc-pwcvtz-dk3
- cc-pwcvtz-nr
- cc-pwcvtz-nr_mp2_fitting
- cc-pwcvtz-pp
- cc-pwcvtz-pp_mp2_fitting
- cc-pwcvtz-ri
- cc-pwcvtz-ri_tight
- cc-pwcvtz_tight
- ccemd-2
- ccemd-3
- ccj-pv5z
- ccj-pvdz
- ccj-pvqz
- ccj-pvtz
- chipman_dzp_+_diffuse
- coemd-2
- coemd-3
- coemd-4
- coemd-ref
- cologne_dkh2
- core_valence_functions_cc-pcv5z
- core_valence_functions_cc-pcv6z
- core_valence_functions_cc-pcv6zold
- core_valence_functions_cc-pcvdz
- core_valence_functions_cc-pcvdzold
- core_valence_functions_cc-pcvqz
- core_valence_functions_cc-pcvqzold
- core_valence_functions_cc-pcvtz
- core_valence_functions_cc-pcvtzold
- crenbl_ecp
- crenbs_ecp
- cvtz
- d-aug-cc-pv5z
- d-aug-cc-pv5z_diffuse
- d-aug-cc-pv6z
- d-aug-cc-pv6z_diffuse
- d-aug-cc-pvdz
- d-aug-cc-pvdz_diffuse
- d-aug-cc-pvqz
- d-aug-cc-pvqz_diffuse
- d-aug-cc-pvtz
- d-aug-cc-pvtz_diffuse
- def2-ecp
- def2-qzvp
- def2-qzvpd
- def2-qzvpp
- def2-qzvppd
- def2-svp
- def2-svpd
- def2-tzvp
- def2-tzvpd
- def2-tzvpp
- def2-tzvppd
- demon_coulomb_fitting
- dgauss_a1_dft_coulomb_fitting
- dgauss_a1_dft_exchange_fitting
- dgauss_a2_dft_coulomb_fitting
- dgauss_a2_dft_exchange_fitting
- dhf-ecp
- dhf-qzvp
- dhf-qzvpp
- dhf-svp
- dhf-tzvp
- dhf-tzvpp
- dhms_polarization
- dunning-hay_diffuse
- dunning-hay_double_rydberg
- dunning-hay_rydberg
- dz_+_double_rydberg_dunning-hay
- dz_+_rydberg_dunning
- dz_dunning
- dzp
- dzp-dkh
- dzp_+_diffuse_dunning
- dzp_+_rydberg_dunning
- dzp_dunning
- dzq
- dzvp2_dft_orbital
- dzvp_dft_orbital
- feller_misc._cvdz
- feller_misc._cvqz
- feller_misc._cvtz
- g3largexp
- g3mp2large
- g3mp2largexp
- gamess_pvtz
- gamess_vtz
- glendening_polarization
- hay-wadt_mb_n+1_ecp
- hay-wadt_vdz_n+1_ecp
- hay_wadt_n-1_ecp
- hondo7_polarization
- huzinaga_polarization
- iglo-ii
- iglo-iii
- jul-cc-pvd+dz
- jul-cc-pvq+dz
- jul-cc-pvt+dz
- jun-cc-pvd+dz
- jun-cc-pvq+dz
- jun-cc-pvt+dz
- lanl08
- lanl08+
- lanl08d
- lanl08f
- lanl2-10s8p7d3f2g
- lanl2-5s4p4d2f
- lanl2-6s4p4d2f
- lanl2-[10s8p7d3f2g]
- lanl2-[5s4p4d2f]
- lanl2-[6s4p4d2f]
- lanl2dz+1d1f
- lanl2dz+2s2p2d2f
- lanl2dz_ecp
- lanl2dzdp_ecp
- lanl2dzdp_ecp_polarization
- lanl2tz
- lanl2tz+
- lanl2tzf
- m6-31g
- m6-31gs
- maug-cc-pvd+dz
- maug-cc-pvdz
- maug-cc-pvq+dz
- maug-cc-pvqz
- maug-cc-pvt+dz
- maug-cc-pvtz
- may-cc-pvq+dz
- may-cc-pvt+dz
- mclean_chandler_vtz
- mg3s
- midi!
- midi_huzinaga
- mini_huzinaga
- mini_scaled
- minis-bsip1
- modified_lanl2dz
- nasa_ames_ano
- nasa_ames_ano2
- nasa_ames_cc-pcv5z
- nasa_ames_cc-pcvqz
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- nlo-v
- nmr-dkh_tz2p
- partridge_uncontracted_1
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- pc-0
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- pcemd-3
- pcemd-4
- pcj-0
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- pcj-2_2006
- pcj-3
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- q-aug-cc-pvtz_diffuse
- qmmm_zhang_3-21g_ecp
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- qzp
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- rel-modelpotentials/
- modbas.2c
- modbas.4c
- roos-ano-dz
- roos-ano-tz
- roos_augmented_double_zeta_ano
- roos_augmented_triple_zeta_ano
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- sadlej_pvtz
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- sbkjc_ecp
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- wtbs
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- x2c-svpall-2c
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- libraryps/
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- Fe_basis.big
- H_basis
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- Sc_basis
- V_basis
- ofpw_default/
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- As
- Ga
- In
- Mg
- P
- Sb
- Si
- paw_default/
- Al
- B
- C
- Ca
- Ce
- Cl
- Co
- Cr
- Cu
- Dy
- Er
- Eu
- F
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- Gd
- H
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- JUNK/
- Er.old
- Yb.bak2
- Yb.good1
- Yb.trial1
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- Yb.trial3
- Li
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- Pt.old
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- Zn.old
- Zr
- pspw_new/
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- pspw_old/
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- nwchem.csh
- nwchem.sh
- nwchemrc
- solvents/
- clfm.rst
- meoh.rst
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- amber_q/
- doc/
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