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Searched refs:npots (Results 1 – 25 of 38) sorted by relevance

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/dports/textproc/xmlf90/xmlf90-1.5.5/doc/Examples/dom/
H A Dpseudo_dom.F9053 pseudo%npots = 0
157 pseudo%npots = 0
166 pseudo%npots = pseudo%npots + 1
167 pp => pseudo%pot(pseudo%npots)
H A Dpseudo.F9048 pseudo%npots = 0
152 pseudo%npots = 0
161 pseudo%npots = pseudo%npots + 1
162 pp => pseudo%pot(pseudo%npots)
H A Dm_pseudo_types.f9050 integer :: npots component
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dpao_linpot_rotinv.F54 min_shell, npots, nshells, pot_maxl local
66 npots = SIZE(pao_potentials)
68 IF (npots == 0) CPWARN("Found no PAO_POTENTIAL section")
82 DO ipot = 1, npots
151 npots = SIZE(ipao_potentials)
156 DO ipot = 1, npots
204 IF (SIZE(jpao_potentials) /= npots) &
340 natoms, nb, ncfga1, ncfga2, ncfgb, npgfa1, npgfa2, npgfb, npots, nshells, pot_maxl, & local
365 npots = SIZE(ipao_potentials)
372 DO ipot = 1, npots
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dpao_linpot_rotinv.F54 min_shell, npots, nshells, pot_maxl local
66 npots = SIZE(pao_potentials)
68 IF (npots == 0) CPWARN("Found no PAO_POTENTIAL section")
82 DO ipot = 1, npots
151 npots = SIZE(ipao_potentials)
156 DO ipot = 1, npots
204 IF (SIZE(jpao_potentials) /= npots) &
340 natoms, nb, ncfga1, ncfga2, ncfgb, npgfa1, npgfa2, npgfb, npots, nshells, pot_maxl, & local
365 npots = SIZE(ipao_potentials)
372 DO ipot = 1, npots
[all …]
/dports/textproc/xmlf90/xmlf90-1.5.5/doc/Examples/sax/pseudo/
H A Dm_pseudo.f9053 pseudo%npots = 0
92 pseudo%npots = pseudo%npots + 1
93 pp => pseudo%pot(pseudo%npots)
H A Dm_pseudo_types.f9050 integer :: npots component
/dports/science/quantum-espresso/q-e-qe-6.7.0/COUPLE/examples/
H A Df2pw.f9018 INTEGER :: nimage, npots, npools, ntg, nband, ndiag, nres variable
23 npots = 1
89 CALL f2libpwscf(new_comm,nimage,npots,npools,ntg,nband,ndiag, &
H A Df2cp.f9018 INTEGER :: nimage, npots, npools, ntg, nband, ndiag, nres variable
23 npots = 1
89 CALL f2libcpv(new_comm,nimage,npots,npools,ntg,nband,ndiag, &
H A Dc2cp.cpp28 int nimage=1, npots=1, npools=1, ntg=1, nband=1, ndiag=1, nres=0; in main() local
45 npots=std::atoi(argv[i]); in main()
104 c2libcpv(pw_comm,nimage,npots,npools,ntg,nband,ndiag,&retval,input); in main()
H A Dc2pw.cpp28 int nimage=1, npots=1, npools=1, ntg=1, nband=1, ndiag=1, nres=0; in main() local
45 npots=std::atoi(argv[i]); in main()
104 c2libpwscf(pw_comm,nimage,npots,npools,ntg,nband,ndiag,&retval,input); in main()
/dports/textproc/xmlf90/xmlf90-1.5.5/doc/Examples/xpath/
H A Dpseudo.F90149 pseudo%npots = pseudo%npots + 1
150 pp => pseudo%pot(pseudo%npots)
H A Dm_pseudo_types.f9050 integer :: npots component
/dports/science/v_sim/v_sim-3.8.0/src/coreTools/
H A Datoms_yaml.c1290 atoms->npots = _dict_len(values); in posinp_yaml_external_potential()
1291 if (atoms->npots) in posinp_yaml_external_potential()
1293 atoms->potnames = malloc(sizeof(char*) * (atoms->npots + 1)); in posinp_yaml_external_potential()
1294 for (i = 0; i < atoms->npots; i++) in posinp_yaml_external_potential()
1296 atoms->potnames[atoms->npots] = (char*)0; in posinp_yaml_external_potential()
1297 atoms->pxyz = malloc(sizeof(double) * atoms->npots * 3); in posinp_yaml_external_potential()
1298 for (i = 0; i < atoms->npots; i++) in posinp_yaml_external_potential()
1300 atoms->psigma = malloc(sizeof(PosinpSigma) * atoms->npots); in posinp_yaml_external_potential()
1302 for (i = 0; i < atoms->npots; i++) in posinp_yaml_external_potential()
1304 atoms->ppoles = malloc(sizeof(PosinpPole) * atoms->npots); in posinp_yaml_external_potential()
[all …]
H A Datoms_yaml.h135 unsigned int npots; member
/dports/science/lammps/lammps-stable_29Sep2021/lib/qmmm/
H A Dpwqmmm.c136 int nimage,npots,npool,ntg,nband,ndiag; in main() local
164 nimage=npots=npool=ntg=nband=ndiag=1; in main()
202 c2libpwscf(qmmmcfg.my_comm, nimage, npots, npool, ntg, nband, ndiag, in main()
/dports/japanese/timidity++-slang/TiMidity++-2.15.0/interface/
H A Dx_wrdwindow.h51 int ss, int ts, int method, int *opts, int npots);
/dports/audio/ocp/ocp-0.2.90/playgmi/timidity-git/interface/
H A Dx_wrdwindow.h51 int ss, int ts, int method, int *opts, int npots);
/dports/audio/timidity++/TiMidity++-2.15.0/interface/
H A Dx_wrdwindow.h51 int ss, int ts, int method, int *opts, int npots);
/dports/audio/timidity++-slang/TiMidity++-2.15.0/interface/
H A Dx_wrdwindow.h51 int ss, int ts, int method, int *opts, int npots);
/dports/audio/timidity++-emacs/TiMidity++-2.15.0/interface/
H A Dx_wrdwindow.h51 int ss, int ts, int method, int *opts, int npots);
/dports/audio/timidity++-xskin/TiMidity++-2.15.0/interface/
H A Dx_wrdwindow.h51 int ss, int ts, int method, int *opts, int npots);
/dports/audio/timidity++-xaw/TiMidity++-2.15.0/interface/
H A Dx_wrdwindow.h51 int ss, int ts, int method, int *opts, int npots);
/dports/audio/timidity++-motif/TiMidity++-2.15.0/interface/
H A Dx_wrdwindow.h51 int ss, int ts, int method, int *opts, int npots);
/dports/audio/timidity++-gtk/TiMidity++-2.15.0/interface/
H A Dx_wrdwindow.h51 int ss, int ts, int method, int *opts, int npots);

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