| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/src/ |
| H A D | wrapper.f | 45 integer wpot, wchg, wsmol, wkappa, wdiel, rchg, rkappa variable
54 + wpot, wchg, wsmol, ispara, pqr, loop, smvolume, smsize, local
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| H A D | wrapper.cpp | 88 int wpot, wchg, wsmol, wkappa, wdiel, rchg, rkappa; in apbs() local
|
| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/modules/Amber/ |
| H A D | apbs.f90 | 28 INTEGER :: wpot, wchg, wsmol, wkappa, wdiel local
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| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/modules/NAMD/ |
| H A D | GlobalMasterAPBS.C | 72 Bool wpot; variable
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/md_xs/FEFF6L/ |
| H A D | feff6Lib.F | 11837 subroutine wpot (nph, edens, ifrph, imt, inrm, subroutine
11907 call chopen (ios, trim(header)//fname, 'wpot') argument
11910 173 format (1x, 3i4, ' Unique potential, I_mt, I_norman.',
11911 1 ' Following data in atomic units.')
11914 174 format (' i r vcoul rho',
11915 1 ' ovrlp vcoul ovrlp vtot ovrlp rho')
11918 1 vclap(i,iph), vtot(i,iph), edens(i,iph)/(4*pi)
11919 176 format (1x, i3, 1p, 6e12.4)
11920 178 continue
11922 180 continue
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/md_xs/FEFF6L/ |
| H A D | feff6Lib.f | 11536 subroutine wpot (nph, edens, ifrph, imt, inrm, subroutine
11603 call chopen (ios, trim(header)//fname, 'wpot') argument
11606 173 format (1x, 3i4, ' Unique potential, I_mt, I_norman.',
11607 1 ' Following data in atomic units.')
11610 174 format (' i r vcoul rho',
11611 1 ' ovrlp vcoul ovrlp vtot ovrlp rho')
11614 1 vclap(i,iph), vtot(i,iph), edens(i,iph)/(4*pi)
11615 176 format (1x, i3, 1p, 6e12.4)
11616 178 continue
11618 180 continue
|
| /dports/science/elmerfem/elmerfem-release-9.0/fem/src/modules/ |
| H A D | WPotentialSolver.F90 | 472 REAL(KIND=dp) :: wpot(nn) local
|
| /dports/science/xtb/xtb-6.4.1/src/ |
| H A D | sphereparam.f90 | 59 type(tb_wall),allocatable :: wpot(:) variable
|