| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/analyz/ |
| H A D | ana_input.F | 20 integer itag,iatag,jatag,ipbc,nrdf,mcopf local
416 ipbc=0
418 if(.not.inp_i(ipbc)) ipbc=3
438 write(lfncmd,1022) isel,jsel,ksel,lsel,iopt,ipbc,rsel,rval,
452 ipbc=0
454 if(.not.inp_i(ipbc)) ipbc=3
462 write(lfncmd,1021) isel,jsel,ksel,ipbc,rsel,rval,
504 ipbc=0
506 if(.not.inp_i(ipbc)) ipbc=3
515 write(lfncmd,1030) isel,ksel,ipbc,rsel,rval,
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/analyz/ |
| H A D | ana_input.F | 20 integer itag,iatag,jatag,ipbc,nrdf,mcopf local
416 ipbc=0
418 if(.not.inp_i(ipbc)) ipbc=3
438 write(lfncmd,1022) isel,jsel,ksel,lsel,iopt,ipbc,rsel,rval,
452 ipbc=0
454 if(.not.inp_i(ipbc)) ipbc=3
462 write(lfncmd,1021) isel,jsel,ksel,ipbc,rsel,rval,
504 ipbc=0
506 if(.not.inp_i(ipbc)) ipbc=3
515 write(lfncmd,1030) isel,ksel,ipbc,rsel,rval,
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/ |
| H A D | argos_diana_input.F | 21 integer itag,iatag,jatag,ipbc,nrdf
495 ipbc=0
497 if(.not.inp_i(ipbc)) ipbc=3
517 write(lfncmd,1022) isel,jsel,ksel,lsel,iopt,ipbc,rsel,rval,
531 ipbc=0
533 if(.not.inp_i(ipbc)) ipbc=3
541 write(lfncmd,1021) isel,jsel,ksel,ipbc,rsel,rval,
583 ipbc=0
585 if(.not.inp_i(ipbc)) ipbc=3
594 write(lfncmd,1030) isel,ksel,ipbc,rsel,rval,
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/ |
| H A D | argos_diana_input.F | 21 integer itag,iatag,jatag,ipbc,nrdf
495 ipbc=0
497 if(.not.inp_i(ipbc)) ipbc=3
517 write(lfncmd,1022) isel,jsel,ksel,lsel,iopt,ipbc,rsel,rval,
531 ipbc=0
533 if(.not.inp_i(ipbc)) ipbc=3
541 write(lfncmd,1021) isel,jsel,ksel,ipbc,rsel,rval,
583 ipbc=0
585 if(.not.inp_i(ipbc)) ipbc=3
594 write(lfncmd,1030) isel,ksel,ipbc,rsel,rval,
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/diana/ |
| H A D | dia_input.F | 21 integer itag,iatag,jatag,ipbc,nrdf
499 ipbc=0
501 if(.not.inp_i(ipbc)) ipbc=3
521 write(lfncmd,1022) isel,jsel,ksel,lsel,iopt,ipbc,rsel,rval,
535 ipbc=0
537 if(.not.inp_i(ipbc)) ipbc=3
545 write(lfncmd,1021) isel,jsel,ksel,ipbc,rsel,rval,
587 ipbc=0
589 if(.not.inp_i(ipbc)) ipbc=3
598 write(lfncmd,1030) isel,ksel,ipbc,rsel,rval,
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/diana/ |
| H A D | dia_input.F | 21 integer itag,iatag,jatag,ipbc,nrdf
499 ipbc=0
501 if(.not.inp_i(ipbc)) ipbc=3
521 write(lfncmd,1022) isel,jsel,ksel,lsel,iopt,ipbc,rsel,rval,
535 ipbc=0
537 if(.not.inp_i(ipbc)) ipbc=3
545 write(lfncmd,1021) isel,jsel,ksel,ipbc,rsel,rval,
587 ipbc=0
589 if(.not.inp_i(ipbc)) ipbc=3
598 write(lfncmd,1030) isel,ksel,ipbc,rsel,rval,
|
| /dports/science/py-ase/ase-3.22.0/ase/io/nwchem/ |
| H A D | nwreader_in.py | 75 for dim, ipbc in enumerate(pbc):
76 if ipbc:
130 dim1, dim2 = [dim for dim, ipbc in enumerate(pbc) if ipbc]
|
| /dports/science/plumed/plumed2-2.7.2/src/mapping/ |
| H A D | PathReparameterization.cpp | 27 PathReparameterization::PathReparameterization( const Pbc& ipbc, const std::vector<Value*>& iargs, … in PathReparameterization() argument
31 pbc(ipbc), in PathReparameterization()
|
| H A D | PathReparameterization.h | 63 …PathReparameterization( const Pbc& ipbc, const std::vector<Value*>& iargs, std::vector<std::unique…
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/doc/user/ |
| H A D | analysis.tex | 296 group [<integer igroup> [periodic <integer ipbc>] \
302 specify the periodicity, \verb+ipbc=1+ for periodicity in \verb+z+,
303 \verb+ipbc=2+ for periodicity in \verb+x+ and \verb+y+, and
304 \verb+ipbc=3+ for periodicity in \verb+x+, \verb+y+ and \verb+z+.
318 groups [<integer igroup> [<integer jgroup>]] [periodic [<integer ipbc default 3>]] \
324 periodic boundary conditions need to be applied in $ipbc$ dimensions.
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/doc/user/ |
| H A D | analysis.tex | 296 group [<integer igroup> [periodic <integer ipbc>] \
302 specify the periodicity, \verb+ipbc=1+ for periodicity in \verb+z+,
303 \verb+ipbc=2+ for periodicity in \verb+x+ and \verb+y+, and
304 \verb+ipbc=3+ for periodicity in \verb+x+, \verb+y+ and \verb+z+.
318 groups [<integer igroup> [<integer jgroup>]] [periodic [<integer ipbc default 3>]] \
324 periodic boundary conditions need to be applied in $ipbc$ dimensions.
|
| /dports/science/py-ase/ase-3.22.0/ase/io/ |
| H A D | gaussian.py | 114 for ipbc, tv in zip(atoms.pbc, atoms.cell):
115 if ipbc:
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/web/doc/user.4.6/ |
| H A D | images.tex | 1955 $ipbc$%
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/web/doc/user.4.6/ |
| H A D | images.tex | 1955 $ipbc$%
|
| /dports/print/texlive-base/texlive-20150521-source/utils/pmx/pmx-2.7.0/ |
| H A D | pmxab.c | 33701 static integer ibc, ipbc, ivxbc; in putcb_() local
33714 ipbc = igetbits_(&comcb_1.ibcdata[ibc - 1], &c__8, &c__4); in putcb_()
33715 if (*ivx == ivxbc && *ip == ipbc) { in putcb_()
|
| H A D | pmx270.for | 21511 ipbc = igetbits(ibcdata(ibc),8,4)
21512 if (ivx .eq. ivxbc .and. ip .eq.ipbc) go to 2
|
| /dports/net-im/telegram-desktop/tdesktop-3.2.5-full/Telegram/ThirdParty/hime/data/ |
| H A D | cj543.cin | 14907 ipbc 貣
47079 ipbc ��
|
| H A D | cj5.cin | 46663 ipbc ��
|
| /dports/chinese/gcin-gtk3/gcin-2.9.0/data/ |
| H A D | cj543.cin | 14910 ipbc 貣
47082 ipbc ��
|
| /dports/chinese/gcin-qt5/gcin-2.9.0/data/ |
| H A D | cj543.cin | 14910 ipbc 貣
47082 ipbc ��
|
| /dports/chinese/gcin/gcin-2.9.0/data/ |
| H A D | cj543.cin | 14910 ipbc 貣
47082 ipbc ��
|
| H A D | cj5.cin | 46662 ipbc ��
|
| /dports/textproc/scim-openvanilla/openvanilla-0.7.2.20070514/Modules/SharedData/ |
| H A D | cj-ext.cin | 21562 ipbc ��
|
| /dports/textproc/openvanilla-framework/openvanilla-0.7.2.20070514/Modules/SharedData/ |
| H A D | cj-ext.cin | 21562 ipbc ��
|
| /dports/chinese/librime/librime-1.7.3/data/minimal/ |
| H A D | cangjie5.dict.yaml | 46684 �� ipbc
|