| /dports/science/nwchem-data/nwchem-7.0.2-release/src/cafe/ |
| H A D | cf_pairs.F | 1 subroutine pairs(lself,lpbcs,xw,xwm,iwdt,iwz, argument
47 logical lself,lpbc,lpbcs
54 if(lself) then
118 if(nsnon.gt.0.and.nwloc.gt.0.and..not.lself) then
138 call cf_lss(lself,lpbc,lpbcs,
160 if(nsloc.gt.0.and.(lself.or.nsnon.gt.0)) then
161 call cf_lsb(lself,isga,isdt,isz,isfr,isto,jsfr,jsto,
177 if(nsloc.gt.0.and.(lself.or.nsnon.gt.0)) then
194 if(nsloc.gt.0.and.(lself.or.nsnon.gt.0)) then
211 if(nsloc.gt.0.and.(lself.or.nsnon.gt.0)) then
[all …]
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| H A D | cf_list.F | 16 logical lself,lpbc
22 if(lself) then
404 if(lself) then
506 if(lself) then
992 logical lself
1030 if((lself.and.nbi.eq.2).or.(.not.lself.and.nbi.eq.4)) then
1082 logical lself
1177 logical lself
1279 logical lself
1382 logical lself
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/ |
| H A D | argos_pairs.F | 1 subroutine argos_pairs(lself,lpbcs,xw,xwm,iwdt,iwz, argument
47 logical lself,lpbc,lpbcs
54 if(lself) then
118 if(nsnon.gt.0.and.nwloc.gt.0.and..not.lself) then
138 call argos_cafe_lss(lself,lpbc,lpbcs,
160 if(nsloc.gt.0.and.(lself.or.nsnon.gt.0)) then
161 call argos_cafe_lsb(lself,isga,isdt,isz,isfr,isto,jsfr,jsto,
177 if(nsloc.gt.0.and.(lself.or.nsnon.gt.0)) then
194 if(nsloc.gt.0.and.(lself.or.nsnon.gt.0)) then
211 if(nsloc.gt.0.and.(lself.or.nsnon.gt.0)) then
[all …]
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| H A D | argos_cafe_lst.F | 1 subroutine argos_cafe_lst(lself,iga,idt,istemp, argument
18 logical lself
48 if((lself.and.nti.eq.2).or.(.not.lself.and.nti.eq.4)) then
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| H A D | argos_cafe_lsb.F | 1 subroutine argos_cafe_lsb(lself,iga,idt,istemp, argument
16 logical lself
54 if((lself.and.nbi.eq.2).or.(.not.lself.and.nbi.eq.4)) then
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| H A D | argos_cafe_lsh.F | 1 subroutine argos_cafe_lsh(lself,iga,idt,istemp, argument
17 logical lself
55 if((lself.and.nhi.eq.3).or.
56 + (.not.lself.and.(nhi.eq.6.or.nhi.eq.9))) then
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| H A D | argos_space_gethdl.F | 1 subroutine argos_space_gethdl(ibbl,lhandl,lself, argument
11 logical lself local
13 call argos_space_gthdl(ibbl,lhandl,lself,iwfr,iwto,isfr,isto,
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| H A D | argos_cafe_lsd.F | 1 subroutine argos_cafe_lsd(lself,iga,idt,istemp, argument
17 logical lself
57 if((lself.and.ndi.eq.4).or.
58 + (.not.lself.and.(ndi.eq.8.or.ndi.eq.12.or.ndi.eq.16))) then
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| H A D | argos_cafe_lso.F | 1 subroutine argos_cafe_lso(lself,iga,idt,istemp, argument
17 logical lself
57 if((lself.and.noi.eq.4).or.
58 + (.not.lself.and.(noi.eq.8.or.noi.eq.12.or.noi.eq.16))) then
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| H A D | argos_space_nbwait.F | 1 subroutine argos_space_nbwait(ibbl,lnew,lhandl,lself,lpbcs, argument
12 logical lself,lpbcs,lnew
15 call argos_space_nbwait2(ibbl,lnew,int_mb(i_bb),lhandl,lself,
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| H A D | argos_space_getxbl.F | 3 + lself,lpbcs)
14 logical lself,lpbcs
20 + int_mb(i_bb),int_mb(i_ipl),int_mb(i_jpl),lself,.false.)
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| H A D | argos_space_gthdl.F | 1 subroutine argos_space_gthdl(ibbl,lhandl,lself, argument
13 logical lself
23 lself=ibox.eq.lbbl(ibbl,2)
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| H A D | argos_fclass.F | 15 logical lself,local,lpbcs
72 + lself,lpbcs)
77 + lself,lpbcs)
82 call argos_space_nbwait(ibbl,lnew,lhandl,lself,lpbcs,
96 call argos_cafe(lself,lpbcs,xw,xwm,fw,zw,dbl_mb(i_rtos),
106 call argos_cafe_polar(lself,lpbcs,xw,xwm,fw,dbl_mb(i_pw),
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/cafe/ |
| H A D | cf_pairs.F | 1 subroutine pairs(lself,lpbcs,xw,xwm,iwdt,iwz, argument
47 logical lself,lpbc,lpbcs
54 if(lself) then
118 if(nsnon.gt.0.and.nwloc.gt.0.and..not.lself) then
138 call cf_lss(lself,lpbc,lpbcs,
160 if(nsloc.gt.0.and.(lself.or.nsnon.gt.0)) then
161 call cf_lsb(lself,isga,isdt,isz,isfr,isto,jsfr,jsto,
177 if(nsloc.gt.0.and.(lself.or.nsnon.gt.0)) then
194 if(nsloc.gt.0.and.(lself.or.nsnon.gt.0)) then
211 if(nsloc.gt.0.and.(lself.or.nsnon.gt.0)) then
[all …]
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| H A D | cf_list.F | 16 logical lself,lpbc
22 if(lself) then
404 if(lself) then
506 if(lself) then
992 logical lself
1030 if((lself.and.nbi.eq.2).or.(.not.lself.and.nbi.eq.4)) then
1082 logical lself
1177 logical lself
1279 logical lself
1382 logical lself
[all …]
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/ |
| H A D | argos_pairs.F | 1 subroutine argos_pairs(lself,lpbcs,xw,xwm,iwdt,iwz, argument
47 logical lself,lpbc,lpbcs
54 if(lself) then
118 if(nsnon.gt.0.and.nwloc.gt.0.and..not.lself) then
138 call argos_cafe_lss(lself,lpbc,lpbcs,
160 if(nsloc.gt.0.and.(lself.or.nsnon.gt.0)) then
161 call argos_cafe_lsb(lself,isga,isdt,isz,isfr,isto,jsfr,jsto,
177 if(nsloc.gt.0.and.(lself.or.nsnon.gt.0)) then
194 if(nsloc.gt.0.and.(lself.or.nsnon.gt.0)) then
211 if(nsloc.gt.0.and.(lself.or.nsnon.gt.0)) then
[all …]
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| H A D | argos_cafe_lsb.F | 1 subroutine argos_cafe_lsb(lself,iga,idt,istemp, argument
16 logical lself
54 if((lself.and.nbi.eq.2).or.(.not.lself.and.nbi.eq.4)) then
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| H A D | argos_cafe_lst.F | 1 subroutine argos_cafe_lst(lself,iga,idt,istemp, argument
18 logical lself local
48 if((lself.and.nti.eq.2).or.(.not.lself.and.nti.eq.4)) then
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| H A D | argos_cafe_lsh.F | 1 subroutine argos_cafe_lsh(lself,iga,idt,istemp, argument
17 logical lself
55 if((lself.and.nhi.eq.3).or.
56 + (.not.lself.and.(nhi.eq.6.or.nhi.eq.9))) then
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| H A D | argos_space_gethdl.F | 1 subroutine argos_space_gethdl(ibbl,lhandl,lself, argument
11 logical lself
13 call argos_space_gthdl(ibbl,lhandl,lself,iwfr,iwto,isfr,isto,
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| H A D | argos_cafe_lsd.F | 1 subroutine argos_cafe_lsd(lself,iga,idt,istemp, argument
17 logical lself
57 if((lself.and.ndi.eq.4).or.
58 + (.not.lself.and.(ndi.eq.8.or.ndi.eq.12.or.ndi.eq.16))) then
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| H A D | argos_cafe_lso.F | 1 subroutine argos_cafe_lso(lself,iga,idt,istemp, argument
17 logical lself
57 if((lself.and.noi.eq.4).or.
58 + (.not.lself.and.(noi.eq.8.or.noi.eq.12.or.noi.eq.16))) then
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| H A D | argos_space_nbwait.F | 1 subroutine argos_space_nbwait(ibbl,lnew,lhandl,lself,lpbcs, argument
12 logical lself,lpbcs,lnew
15 call argos_space_nbwait2(ibbl,lnew,int_mb(i_bb),lhandl,lself,
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| H A D | argos_space_getxbl.F | 3 + lself,lpbcs)
14 logical lself,lpbcs
20 + int_mb(i_bb),int_mb(i_ipl),int_mb(i_jpl),lself,.false.)
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| H A D | argos_space_gthdl.F | 1 subroutine argos_space_gthdl(ibbl,lhandl,lself, argument
13 logical lself
23 lself=ibox.eq.lbbl(ibbl,2)
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