| /dports/math/R-cran-DoE.base/DoE.base/R/ |
| H A D | expansive.replace.R | 1 expansive.replace <- function(array1, array2, fac1 = NULL, all = FALSE){ argument
4 if (!is.null(fac1))
5 if (!fac1 %in% 1:ncol(array1))
11 if (!is.null(fac1))
12 if (!l1[fac1]==n2)
13 stop("column ", fac1, " of array1 does not have ", n2, " levels")
16 if (is.null(fac1)) fac1 <- min(which(l1==n2))
17 if (length(setdiff(array1[,fac1], 1:n2))>0)
66 hilf <- cbind(array1[, -fac1], obj[array1[,fac1],])
74 aus <- cbind(array1[, -fac1], array2[array1[,fac1],])
|
| /dports/cad/feappv/feappv-4.1i/plot/ |
| H A D | pltaxs.f | 24 real*8 ct,fac1,fac2,fac3 local
41 fac1 = dd(n,m)
43 xx(n,2) = xx(n,1) + fac1
46 fac1 = dd(1,m)*0.1d0
49 xx(1,3) = xx(1,2) - 3.d0*fac1 - fac2 - fac3
50 xx(2,3) = xx(2,2) - 3.d0*fac2 + fac1 + fac3
51 xx(3,3) = xx(3,2) - 3.d0*fac3 + fac1 + fac2
52 xx(1,4) = xx(1,2) - 3.d0*fac1 + fac2 + fac3
53 xx(2,4) = xx(2,2) - 3.d0*fac2 - fac1 - fac3
54 xx(3,4) = xx(3,2) - 3.d0*fac3 - fac1 - fac2
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/ecp/ |
| H A D | ecp_t1_Q1pow.F | 28 & tol,fac0,fac1,fac2,fac3
33 fac1 = zero
36 fac1 = fac1+two
38 fac3 = fac3*fac1/fac2
40 fac1 = fac1+two
42 fac0 = fac1/fac2
60 fac1 = fac1+two
63 fac0 = fac1/(fac2*fac3)
|
| H A D | ecp_t1_Q3pow.F | 28 & tol,fac0,fac1,fac2,fac3
33 fac1 = zero
36 fac1 = fac1+two
38 fac3 = fac3*fac1/fac2
50 fac1 = fac1+four
52 fac0 = fac1/fac2
61 fac1 = fac1+two
64 fac0 = fac1/(fac2*fac3)
|
| H A D | ecp_t1_Q0asy.F | 28 & fac1
36 fac1 = 1-m-m
37 fac1 = fac1/two
45 term(i) = (term(i)*fac1)/xt(i)
46 test(i) = sign(abs(term(i))/Q(i),xt(i)-fac1)
49 fac1 = fac1+one
|
| H A D | ecp_t2_p1pow.F | 32 & temp(n,9),tol,fac0,fac1,fac2,fac3,fac4,fac5,fac0i,fac1i,fac2i
39 fac1 = m+1+min(k,0)
40 fac1 = fac1+half
55 fac1i = one/fac1
77 fac1 = fac1+one
80 fac1i = one/fac1
134 fac1 = half
137 fac1 = fac1+one
138 fac5 = fac5/fac1
|
| H A D | ecp_t2_p0pow.F | 33 & temp(n,9),tol,fac0,fac1,fac2,fac3,fac4,fac5,fac0i,fac1i,fac2i
40 fac1 = m+1+min(k,0)
41 fac1 = fac1+half
59 fac1i = one/fac1
79 fac1 = fac1+one
82 fac1i = one/fac1
143 fac1 = half
146 fac1 = fac1+one
147 fac5 = fac5/fac1
|
| H A D | ecp_t2_p3pow.F | 32 & temp(n,9),tol,fac0,fac1,fac2,fac3,fac4,fac5,fac0i,fac1i,fac2i
39 fac1 = m+1+min(k,0)
40 fac1 = fac1+half
54 fac1i = one/fac1
75 fac1 = fac1+one
78 fac1i = one/fac1
121 fac1 = half
124 fac1 = fac1+one
125 fac5 = fac5/fac1
|
| H A D | ecp_t2_p4pow.F | 32 & temp(n,9),tol,fac0,fac1,fac2,fac3,fac4,fac5,fac0i,fac1i,fac2i
39 fac1 = m+1+min(k,0)
40 fac1 = fac1+half
54 fac1i = one/fac1
75 fac1 = fac1+one
78 fac1i = one/fac1
121 fac1 = half
124 fac1 = fac1+one
125 fac5 = fac5/fac1
|
| H A D | ecp_t1_Q0pow.F | 28 & tol,fac0,fac1,fac2,fac3
46 fac1 = m+m+1
47 fac1 = fac1/two
51 fac0 = one/fac1
52 fac1 = fac1+one
59 test(i) = term(i)/(Q(i)*fac1)
|
| H A D | ecp_bess_pow.f | 28 & tol,fac0,fac1,fac2,one,two
40 fac1 = m+m+1
42 1 fac1 = fac1+two
44 fac0 = one/(fac1*fac2)
60 fac1 = i
61 fac0 = fac0/fac1
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/ecp/ |
| H A D | ecp_t1_Q1pow.F | 28 & tol,fac0,fac1,fac2,fac3 local
33 fac1 = zero
36 fac1 = fac1+two
38 fac3 = fac3*fac1/fac2
40 fac1 = fac1+two
42 fac0 = fac1/fac2
60 fac1 = fac1+two
63 fac0 = fac1/(fac2*fac3)
|
| H A D | ecp_t1_Q3pow.F | 28 & tol,fac0,fac1,fac2,fac3 local
33 fac1 = zero
36 fac1 = fac1+two
38 fac3 = fac3*fac1/fac2
50 fac1 = fac1+four
52 fac0 = fac1/fac2
61 fac1 = fac1+two
64 fac0 = fac1/(fac2*fac3)
|
| H A D | ecp_t1_Q0asy.F | 28 & fac1 local
36 fac1 = 1-m-m
37 fac1 = fac1/two
45 term(i) = (term(i)*fac1)/xt(i)
46 test(i) = sign(abs(term(i))/Q(i),xt(i)-fac1)
49 fac1 = fac1+one
|
| H A D | ecp_t2_p3pow.F | 32 & temp(n,9),tol,fac0,fac1,fac2,fac3,fac4,fac5,fac0i,fac1i,fac2i local
39 fac1 = m+1+min(k,0)
40 fac1 = fac1+half
54 fac1i = one/fac1
75 fac1 = fac1+one
78 fac1i = one/fac1
121 fac1 = half
124 fac1 = fac1+one
125 fac5 = fac5/fac1
|
| H A D | ecp_t2_p0pow.F | 33 & temp(n,9),tol,fac0,fac1,fac2,fac3,fac4,fac5,fac0i,fac1i,fac2i
40 fac1 = m+1+min(k,0)
41 fac1 = fac1+half
59 fac1i = one/fac1
79 fac1 = fac1+one
82 fac1i = one/fac1
143 fac1 = half
146 fac1 = fac1+one
147 fac5 = fac5/fac1
|
| H A D | ecp_t2_p1pow.F | 32 & temp(n,9),tol,fac0,fac1,fac2,fac3,fac4,fac5,fac0i,fac1i,fac2i local
39 fac1 = m+1+min(k,0)
40 fac1 = fac1+half
55 fac1i = one/fac1
77 fac1 = fac1+one
80 fac1i = one/fac1
134 fac1 = half
137 fac1 = fac1+one
138 fac5 = fac5/fac1
|
| H A D | ecp_t2_p4pow.F | 32 & temp(n,9),tol,fac0,fac1,fac2,fac3,fac4,fac5,fac0i,fac1i,fac2i local
39 fac1 = m+1+min(k,0)
40 fac1 = fac1+half
54 fac1i = one/fac1
75 fac1 = fac1+one
78 fac1i = one/fac1
121 fac1 = half
124 fac1 = fac1+one
125 fac5 = fac5/fac1
|
| H A D | ecp_t1_Q0pow.F | 28 & tol,fac0,fac1,fac2,fac3 local
46 fac1 = m+m+1
47 fac1 = fac1/two
51 fac0 = one/fac1
52 fac1 = fac1+one
59 test(i) = term(i)/(Q(i)*fac1)
|
| H A D | ecp_bess_pow.f | 28 & tol,fac0,fac1,fac2,one,two
40 fac1 = m+m+1
42 1 fac1 = fac1+two
44 fac0 = one/(fac1*fac2)
60 fac1 = i
61 fac0 = fac0/fac1
|
| /dports/biology/molden/molden5.8/ |
| H A D | twocen.f | 1 subroutine twocen(t2,fac1,strt,t,fac2,ijtyp) argument
8 h(2) = fac2*fac1*h(1)
10 h(3) = fac2*(fac1*h(2) - h(1))
12 h(4) = fac2*(fac1*h(3) - 2.d0*h(2))
14 h(5) = fac2*(fac1*h(4) - 3.d0*h(3))
16 h(6) = fac2*(fac1*h(5) - 4.d0*h(4))
18 h(7) = fac2*(fac1*h(6) - 5.d0*h(5))
20 h(8) = fac2*(fac1*h(7) - 6.d0*h(6))
22 h(9) = fac2*(fac1*h(8) - 7.d0*h(7))
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | se_core_matrix.F | 645 fac1 = fac1*2.0_dp
648 fac1 = fac1*SQRT(4.0_dp/3.0_dp)
651 fac1 = fac1*SQRT(8.0_dp/45.0_dp)
663 fac1 = fac1*2.0_dp
666 fac1 = fac1*SQRT(4.0_dp/3.0_dp)
669 fac1 = fac1*SQRT(8.0_dp/45.0_dp)
1023 fac1 = fac1*2.0_dp
1026 fac1 = fac1*SQRT(4.0_dp/3.0_dp)
1029 fac1 = fac1*SQRT(8.0_dp/45.0_dp)
1041 fac1 = fac1*2.0_dp
[all …]
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | se_core_matrix.F | 645 fac1 = fac1*2.0_dp
648 fac1 = fac1*SQRT(4.0_dp/3.0_dp)
651 fac1 = fac1*SQRT(8.0_dp/45.0_dp)
663 fac1 = fac1*2.0_dp
666 fac1 = fac1*SQRT(4.0_dp/3.0_dp)
669 fac1 = fac1*SQRT(8.0_dp/45.0_dp)
1023 fac1 = fac1*2.0_dp
1026 fac1 = fac1*SQRT(4.0_dp/3.0_dp)
1029 fac1 = fac1*SQRT(8.0_dp/45.0_dp)
1041 fac1 = fac1*2.0_dp
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/nwpwxc/ |
| H A D | nwpwxc_x_b86b.F | 137 fac1 = (1 + gparamu * dr2_r83)
138 fac45 = fac1**FM45
146 & 32d0/15d0 * gparamu * dr4_r5 / fac1) * wght
149 & (1 - F45 * gparamu * dr2_r83 / fac1) * wght
204 fac1 = (1 + gparam * dr2_r83)
205 fac45 = fac1**FM45
213 & 32d0/15d0 * gparam * dr4_r5 / fac1) * wght
216 & (1 - F45 * gparam * dr2_r83 / fac1)
260 fac1 = (1 + gparam * dr2_r83)
261 fac45 = fac1**FM45
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/ |
| H A D | nwpwxc_x_b86b.F | 137 fac1 = (1 + gparamu * dr2_r83)
138 fac45 = fac1**FM45
146 & 32d0/15d0 * gparamu * dr4_r5 / fac1) * wght
149 & (1 - F45 * gparamu * dr2_r83 / fac1) * wght
204 fac1 = (1 + gparam * dr2_r83)
205 fac45 = fac1**FM45
213 & 32d0/15d0 * gparam * dr4_r5 / fac1) * wght
216 & (1 - F45 * gparam * dr2_r83 / fac1)
260 fac1 = (1 + gparam * dr2_r83)
261 fac45 = fac1**FM45
[all …]
|