| /dports/science/quantum-espresso/q-e-qe-6.7.0/dft-d3/ |
| H A D | api.f90 | 46 logical, allocatable :: maxc6list(:) component
86 logical, allocatable :: minc6list(:), maxc6list(:) local
100 allocate(maxc6list(max_elem))
101 if (allocated(input%maxc6list)) then
102 maxc6list(:) = input%maxc6list
104 maxc6list(:) = .false.
106 maxc6 = any(maxc6list)
111 & maxc6, maxc6list)
113 deallocate(maxc6list)
|
| H A D | core.f90 | 4674 & maxc6list) argument
4678 logical minc6,maxc6,minc6list(max_elem),maxc6list(max_elem) local
4766 if (maxc6list(iat)) then
4784 if (maxc6list(jat)) then
4803 if (maxc6list(iat).and.maxc6list(jat)) then
4822 if (minc6list(iat).and.maxc6list(jat)) then
4842 if (maxc6list(iat).and.minc6list(jat)) then
|
| /dports/science/octopus/octopus-10.5/external_libs/dftd3/ |
| H A D | api.f90 | 46 logical, allocatable :: maxc6list(:) component
84 logical, allocatable :: minc6list(:), maxc6list(:) local
98 allocate(maxc6list(max_elem))
99 if (allocated(input%maxc6list)) then
100 maxc6list(:) = input%maxc6list
102 maxc6list(:) = .false.
104 maxc6 = any(maxc6list)
109 & maxc6, maxc6list)
|
| H A D | core.f90 | 4659 & maxc6list) argument
4663 logical minc6,maxc6,minc6list(max_elem),maxc6list(max_elem) local
4748 if (maxc6list(iat)) then
4766 if (maxc6list(jat)) then
4785 if (maxc6list(iat).and.maxc6list(jat)) then
4804 if (minc6list(iat).and.maxc6list(jat)) then
4824 if (maxc6list(iat).and.minc6list(jat)) then
|
| /dports/science/dftbplus/dftbplus-19.1/external/dftd3/origin/lib/ |
| H A D | api.f90 | 46 logical, allocatable :: maxc6list(:) component
83 logical, allocatable :: minc6list(:), maxc6list(:) local
97 allocate(maxc6list(max_elem))
98 if (allocated(input%maxc6list)) then
99 maxc6list(:) = input%maxc6list
101 maxc6list(:) = .false.
103 maxc6 = any(maxc6list)
108 & maxc6, maxc6list)
|
| H A D | core.f90 | 4519 & maxc6list) argument
4523 logical, intent(in) :: minc6,maxc6,minc6list(max_elem),maxc6list(max_elem) local
4604 if (maxc6list(iat)) then
4622 if (maxc6list(jat)) then
4641 if (maxc6list(iat).and.maxc6list(jat)) then
4660 if (minc6list(iat).and.maxc6list(jat)) then
4680 if (maxc6list(iat).and.minc6list(jat)) then
|
| /dports/science/dftbplus/dftbplus-19.1/external/dftd3/origin/prg/ |
| H A D | main.f90 | 102 logical minc6list(max_elem),maxc6list(max_elem),minc6,maxc6 variable
132 maxc6list=.false.
212 maxc6list(nn)=.true.
261 if (minc6list(i).and.maxc6list(i)) &
269 & minc6,minc6list,maxc6,maxc6list)
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/ |
| H A D | nwxc_vdw3d.F | 8 . minc6,minc6list,maxc6,maxc6list)
13 logical minc6,maxc6,minc6list(max_elem),maxc6list(max_elem)
35725 if (maxc6list(iat)) then !only CN=maximum for iat
35742 if (maxc6list(jat)) then !only CN=maximum for jat
35760 if (maxc6list(iat).and.maxc6list(jat)) then !only CN=maximum for iat and jat
35778 if (minc6list(iat).and.maxc6list(jat)) then !only CN=minimum for iat
35796 if (maxc6list(iat).and.minc6list(jat)) then !only CN=maximum for iat
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/nwpwxc/ |
| H A D | nwpwxc_vdw3d.F | 6 . minc6,minc6list,maxc6,maxc6list)
11 logical minc6,maxc6,minc6list(max_elem),maxc6list(max_elem)
35722 if (maxc6list(iat)) then !only CN=maximum for iat
35739 if (maxc6list(jat)) then !only CN=maximum for jat
35757 if (maxc6list(iat).and.maxc6list(jat)) then !only CN=maximum for iat and jat
35775 if (minc6list(iat).and.maxc6list(jat)) then !only CN=minimum for iat
35793 if (maxc6list(iat).and.minc6list(jat)) then !only CN=maximum for iat
|
| H A D | nwpwxc_vdw3a.patch | 66 logical minc6list(max_elem),maxc6list(max_elem),minc6,maxc6
207 maxc6list(nn)=.true.
272 if (minc6list(i).and.maxc6list(i))
282 . minc6,minc6list,maxc6,maxc6list)
|
| H A D | nwpwxc_vdw3d.F.old | 8 . minc6,minc6list,maxc6,maxc6list)
13 logical minc6,maxc6,minc6list(max_elem),maxc6list(max_elem)
35725 if (maxc6list(iat)) then !only CN=maximum for iat
35742 if (maxc6list(jat)) then !only CN=maximum for jat
35760 if (maxc6list(iat).and.maxc6list(jat)) then !only CN=maximum for iat and jat
35778 if (minc6list(iat).and.maxc6list(jat)) then !only CN=minimum for iat
35796 if (maxc6list(iat).and.minc6list(jat)) then !only CN=maximum for iat
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/ |
| H A D | nwpwxc_vdw3d.F | 6 . minc6,minc6list,maxc6,maxc6list)
11 logical minc6,maxc6,minc6list(max_elem),maxc6list(max_elem)
35722 if (maxc6list(iat)) then !only CN=maximum for iat
35739 if (maxc6list(jat)) then !only CN=maximum for jat
35757 if (maxc6list(iat).and.maxc6list(jat)) then !only CN=maximum for iat and jat
35775 if (minc6list(iat).and.maxc6list(jat)) then !only CN=minimum for iat
35793 if (maxc6list(iat).and.minc6list(jat)) then !only CN=maximum for iat
|
| H A D | nwpwxc_vdw3a.F | 129 logical minc6list(max_elem),maxc6list(max_elem),minc6,maxc6
267 maxc6list=.false.
346 maxc6list(nn)=.true.
395 if (minc6list(i).and.maxc6list(i))
403 . minc6,minc6list,maxc6,maxc6list)
|
| H A D | nwpwxc_vdw3a.F.old | 113 logical minc6list(max_elem),maxc6list(max_elem),minc6,maxc6
254 maxc6list=.false.
333 maxc6list(nn)=.true.
412 c maxc6list(nn)=.true.
458 if (minc6list(i).and.maxc6list(i))
461 ! if (maxc6list(i)) write(*,*)'max:',i
466 . minc6,minc6list,maxc6,maxc6list)
|
| H A D | nwpwxc_vdw3d.F.old | 8 . minc6,minc6list,maxc6,maxc6list)
13 logical minc6,maxc6,minc6list(max_elem),maxc6list(max_elem)
35725 if (maxc6list(iat)) then !only CN=maximum for iat
35742 if (maxc6list(jat)) then !only CN=maximum for jat
35760 if (maxc6list(iat).and.maxc6list(jat)) then !only CN=maximum for iat and jat
35778 if (minc6list(iat).and.maxc6list(jat)) then !only CN=minimum for iat
35796 if (maxc6list(iat).and.minc6list(jat)) then !only CN=maximum for iat
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/DFT3-NEW/ |
| H A D | nwpwxc_vdw3d.F | 6 . minc6,minc6list,maxc6,maxc6list)
11 logical minc6,maxc6,minc6list(max_elem),maxc6list(max_elem)
35722 if (maxc6list(iat)) then !only CN=maximum for iat
35739 if (maxc6list(jat)) then !only CN=maximum for jat
35757 if (maxc6list(iat).and.maxc6list(jat)) then !only CN=maximum for iat and jat
35775 if (minc6list(iat).and.maxc6list(jat)) then !only CN=minimum for iat
35793 if (maxc6list(iat).and.minc6list(jat)) then !only CN=maximum for iat
|
| H A D | nwpwxc_vdw3a.F | 125 logical minc6list(max_elem),maxc6list(max_elem),minc6,maxc6
263 maxc6list=.false.
342 maxc6list(nn)=.true.
391 if (minc6list(i).and.maxc6list(i))
399 . minc6,minc6list,maxc6,maxc6list)
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/DFT3-OLD/ |
| H A D | nwpwxc_vdw3d.F | 8 . minc6,minc6list,maxc6,maxc6list)
13 logical minc6,maxc6,minc6list(max_elem),maxc6list(max_elem)
35725 if (maxc6list(iat)) then !only CN=maximum for iat
35742 if (maxc6list(jat)) then !only CN=maximum for jat
35760 if (maxc6list(iat).and.maxc6list(jat)) then !only CN=maximum for iat and jat
35778 if (minc6list(iat).and.maxc6list(jat)) then !only CN=minimum for iat
35796 if (maxc6list(iat).and.minc6list(jat)) then !only CN=maximum for iat
|
| H A D | nwpwxc_vdw3a.F | 113 logical minc6list(max_elem),maxc6list(max_elem),minc6,maxc6
254 maxc6list=.false.
333 maxc6list(nn)=.true.
458 if (minc6list(i).and.maxc6list(i))
466 . minc6,minc6list,maxc6,maxc6list)
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/ |
| H A D | nwxc_vdw3d.F | 8 . minc6,minc6list,maxc6,maxc6list)
13 logical minc6,maxc6,minc6list(max_elem),maxc6list(max_elem)
35725 if (maxc6list(iat)) then !only CN=maximum for iat
35742 if (maxc6list(jat)) then !only CN=maximum for jat
35760 if (maxc6list(iat).and.maxc6list(jat)) then !only CN=maximum for iat and jat
35778 if (minc6list(iat).and.maxc6list(jat)) then !only CN=minimum for iat
35796 if (maxc6list(iat).and.minc6list(jat)) then !only CN=maximum for iat
|
| H A D | nwxc_vdw3a.F | 113 logical minc6list(max_elem),maxc6list(max_elem),minc6,maxc6
254 maxc6list=.false.
333 maxc6list(nn)=.true.
458 if (minc6list(i).and.maxc6list(i))
466 . minc6,minc6list,maxc6,maxc6list)
|
| H A D | nwxc_vdw3.F | 113 logical minc6list(max_elem),maxc6list(max_elem),minc6,maxc6
252 maxc6list=.false.
331 maxc6list(nn)=.true.
453 if (minc6list(i).and.maxc6list(i))
461 . minc6,minc6list,maxc6,maxc6list)
7060 . minc6,minc6list,maxc6,maxc6list)
7065 logical minc6,maxc6,minc6list(max_elem),maxc6list(max_elem)
42777 if (maxc6list(iat)) then !only CN=maximum for iat
42794 if (maxc6list(jat)) then !only CN=maximum for jat
42812 if (maxc6list(iat).and.maxc6list(jat)) then !only CN=maximum for iat and jat
[all …]
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