| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/ion/ |
| H A D | ion_ion.F | 38 real*8 psp_zv,ion_rion local
116 real*8 psp_zv,ion_rion local
178 real*8 psp_zv,ion_rion local
226 real*8 psp_zv,ion_rion local
281 real*8 psp_zv,ion_rion local
329 real*8 psp_zv,ion_rion local
387 real*8 psp_zv,ion_rion local
456 real*8 psp_zv,ion_rion local
524 real*8 psp_zv,ion_rion local
584 real*8 psp_zv,ion_rion local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/charge/ |
| H A D | pspw_efield.F | 169 real*8 ion_rion,psp_zv local
203 real*8 ion_rion,psp_zv local
257 real*8 psp_zv,ion_rion local
|
| H A D | pspw_charge.F | 925 real*8 ion_rion,psp_zv local
986 real*8 psp_zv,ion_rion local
1045 real*8 psp_zv,ion_rion local
1384 real*8 ion_rion,psp_zv local
1442 real*8 psp_zv,ion_rion local
1499 real*8 psp_zv,ion_rion local
|
| H A D | pspw_cosmo.F | 224 real*8 ion_rion,psp_zv,util_erf local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/psi/ |
| H A D | berry_phase_pol.F | 23 real*8 ion_rion,psp_zv,lattice_unitg,lattice_omega local
|
| H A D | dipole_efield.F | 139 real*8 ion_rion,psp_zv local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/qmmm/pspw_Q/ |
| H A D | pspw_Q.F | 373 subroutine pspw_Q_fion(nion,nion_qm,katm,psp_zv,amass, argument
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/qmmm/pspw_Q/ |
| H A D | pspw_Q.F | 373 subroutine pspw_Q_fion(nion,nion_qm,katm,psp_zv,amass, argument
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/analysis/APC/ |
| H A D | pspw_atom_Efield.F | 49 real*8 lattice_omega,psp_zv,ion_rion local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lcao/ |
| H A D | lcao_wvfnc_bak.F | 49 real*8 psp_ncore,psp_rcore,psp_rlocal,psp_rc,psp_zv local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/aorbs/ |
| H A D | aorbs.F | 403 real*8 psp_zv local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/ |
| H A D | mmsdv1.F | 80 real*8 psp_zv,psp_rc,ewald_rcut,ion_amass local
|
| H A D | cpmd_qmmm_stop.F | 87 real*8 psp_zv,psp_rc,ewald_rcut,ion_amass local
|
| H A D | cpmd_qmmm_start.F | 91 real*8 psp_zv,psp_rc,ewald_rcut,ion_amass local
|
| H A D | cpsdv5.F | 113 real*8 psp_zv,psp_rc,ewald_rcut,ion_amass,nwpw_cosmo_qc0 local
|
| H A D | cpmdv5.F | 112 real*8 psp_zv,psp_rc,ewald_rcut,ion_amass local
|
| H A D | pspw_et.F | 82 real*8 psp_zv,psp_rc,ewald_rcut,ion_amass local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/minimizer/ |
| H A D | ofpw_minimizer.F | 70 real*8 psp_zv,psp_rc,ewald_rcut local
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/psp/ |
| H A D | psp.F | 4623 real*8 psp_rc,psp_rlocal,psp_rcore,psp_ncore,psp_zv local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/cpsd/ |
| H A D | ofpwsd.F | 86 real*8 psp_zv,psp_rc,ewald_rcut,ion_amass local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/psp/ |
| H A D | psp.F | 4964 real*8 psp_rc,psp_rlocal,psp_rcore,psp_ncore,psp_zv local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cgsd/ |
| H A D | cgmdv5.F | 80 real*8 psp_zv,psp_rc,ewald_rcut local
|
| H A D | cgoptimize1.F | 83 real*8 psp_zv,psp_rc,ewald_rcut local
|
| H A D | cgmontecarlov1.F | 88 real*8 psp_zv,psp_rc,ewald_rcut local
|