| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lcao/ |
| H A D | lcaov1.F | 56 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut local
|
| H A D | lcao_wvfnc_bak.F | 52 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/dplot/ |
| H A D | pspw_dplot.F | 43 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut local
941 real*8 lattice_unita,ion_rion,ion_q local
1148 real*8 lattice_unita local
1253 real*8 lattice_unita local
1484 real*8 lattice_unita local
1584 real*8 lattice_unita,ion_rion,ion_q local
1961 real*8 lattice_unita,ion_rion,ion_q local
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/geom/ |
| H A D | geom.F | 4581 subroutine xlattice_abc_abg(a,b,c,alpha,beta,gamma,lattice_unita) argument
4584 double precision alpha,beta,gamma,lattice_unita(3,3) local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/geom/ |
| H A D | geom.F | 4587 subroutine xlattice_abc_abg(a,b,c,alpha,beta,gamma,lattice_unita) argument
4590 double precision alpha,beta,gamma,lattice_unita(3,3) local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/ |
| H A D | fei_output.F | 136 real*8 lattice_unita,ion_rion local
|
| H A D | mmsdv1.F | 82 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut local
|
| H A D | cpmd_qmmm_stop.F | 89 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut local
|
| H A D | cpmd_qmmm_start.F | 93 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/utilities/ |
| H A D | cell.F | 94 real*8 lattice_unita local
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/utilities/ |
| H A D | cell.F | 94 real*8 lattice_unita local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/coulomb/ |
| H A D | coulomb_screened.F | 41 real*8 util_erf,lattice_omega,lattice_unita,lattice_unitg local
833 real*8 lattice_unita,lattice_omega local
945 real*8 util_erf,lattice_omega,lattice_unita local
|
| H A D | coulomb2.F | 54 real*8 lattice_unita,util_erf local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/cgsd/ |
| H A D | paw_minimizer.F | 69 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_proj/ |
| H A D | paw_proj.F | 660 real*8 lattice_unita,lattice_omega local
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_proj/ |
| H A D | paw_proj.F | 660 real*8 lattice_unita,lattice_omega local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/analysis/ |
| H A D | analysis.F | 86 real*8 lattice_omega,lattice_ecut,lattice_unita local
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/lattice/ |
| H A D | lattice.f | 584 real*8 function lattice_unita(i,j) function
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/lattice/ |
| H A D | lattice.f | 584 real*8 function lattice_unita(i,j) function
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/minimizer/ |
| H A D | ofpw_minimizer.F | 72 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/cpsd/ |
| H A D | ofpwsd.F | 88 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/cpsd/ |
| H A D | paw_sd.F | 279 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut local
|
| H A D | paw_cpmd.F | 221 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cgsd/ |
| H A D | cgsd_energy.F | 1154 real*8 lattice_omega,lattice_unita local
1415 real*8 lattice_omega,lattice_unita,ion_vion,ion_amass local
|
| H A D | cgmdv5.F | 82 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut local
|