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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/hfx_tools/contraction/templates/
H A D	sphi10c	1 buffer1(i+imax(11-1)) = buffer1(i+imax(11-1)) + buffer2(1+(i-1)kmax) sphi_c(1,11+s_offset_c1) 2 buffer1(i+imax(13-1)) = buffer1(i+imax(13-1)) + buffer2(1+(i-1)kmax) sphi_c(1,13+s_offset_c1) 3 buffer1(i+imax(15-1)) = buffer1(i+imax(15-1)) + buffer2(1+(i-1)kmax) sphi_c(1,15+s_offset_c1) 4 buffer1(i+imax(17-1)) = buffer1(i+imax(17-1)) + buffer2(1+(i-1)kmax) sphi_c(1,17+s_offset_c1) 5 buffer1(i+imax(19-1)) = buffer1(i+imax(19-1)) + buffer2(1+(i-1)kmax) sphi_c(1,19+s_offset_c1) 6 buffer1(i+imax(21-1)) = buffer1(i+imax(21-1)) + buffer2(1+(i-1)kmax) sphi_c(1,21+s_offset_c1) 7 buffer1(i+imax(1-1)) = buffer1(i+imax(1-1)) + buffer2(2+(i-1)kmax) sphi_c(2,1+s_offset_c1) 8 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(2+(i-1)kmax) sphi_c(2,3+s_offset_c1) 9 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(2+(i-1)kmax) sphi_c(2,5+s_offset_c1) 10 buffer1(i+imax(7-1)) = buffer1(i+imax(7-1)) + buffer2(2+(i-1)kmax) sphi_c(2,7+s_offset_c1) [all …]
H A D	sphi9c	1 buffer1(i+imax(11-1)) = buffer1(i+imax(11-1)) + buffer2(1+(i-1)kmax) sphi_c(1,11+s_offset_c1) 2 buffer1(i+imax(13-1)) = buffer1(i+imax(13-1)) + buffer2(1+(i-1)kmax) sphi_c(1,13+s_offset_c1) 3 buffer1(i+imax(15-1)) = buffer1(i+imax(15-1)) + buffer2(1+(i-1)kmax) sphi_c(1,15+s_offset_c1) 4 buffer1(i+imax(17-1)) = buffer1(i+imax(17-1)) + buffer2(1+(i-1)kmax) sphi_c(1,17+s_offset_c1) 5 buffer1(i+imax(19-1)) = buffer1(i+imax(19-1)) + buffer2(1+(i-1)kmax) sphi_c(1,19+s_offset_c1) 6 buffer1(i+imax(1-1)) = buffer1(i+imax(1-1)) + buffer2(2+(i-1)kmax) sphi_c(2,1+s_offset_c1) 7 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(2+(i-1)kmax) sphi_c(2,3+s_offset_c1) 8 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(2+(i-1)kmax) sphi_c(2,5+s_offset_c1) 9 buffer1(i+imax(7-1)) = buffer1(i+imax(7-1)) + buffer2(2+(i-1)kmax) sphi_c(2,7+s_offset_c1) 10 buffer1(i+imax(9-1)) = buffer1(i+imax(9-1)) + buffer2(2+(i-1)kmax) sphi_c(2,9+s_offset_c1) [all …]
H A D	sphi8c	1 buffer1(i+imax(9-1)) = buffer1(i+imax(9-1)) + buffer2(1+(i-1)kmax) sphi_c(1,9+s_offset_c1) 2 buffer1(i+imax(11-1)) = buffer1(i+imax(11-1)) + buffer2(1+(i-1)kmax) sphi_c(1,11+s_offset_c1) 3 buffer1(i+imax(13-1)) = buffer1(i+imax(13-1)) + buffer2(1+(i-1)kmax) sphi_c(1,13+s_offset_c1) 4 buffer1(i+imax(15-1)) = buffer1(i+imax(15-1)) + buffer2(1+(i-1)kmax) sphi_c(1,15+s_offset_c1) 5 buffer1(i+imax(17-1)) = buffer1(i+imax(17-1)) + buffer2(1+(i-1)kmax) sphi_c(1,17+s_offset_c1) 6 buffer1(i+imax(1-1)) = buffer1(i+imax(1-1)) + buffer2(2+(i-1)kmax) sphi_c(2,1+s_offset_c1) 7 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(2+(i-1)kmax) sphi_c(2,3+s_offset_c1) 8 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(2+(i-1)kmax) sphi_c(2,5+s_offset_c1) 9 buffer1(i+imax(7-1)) = buffer1(i+imax(7-1)) + buffer2(2+(i-1)kmax) sphi_c(2,7+s_offset_c1) 14 buffer1(i+imax(9-1)) = buffer1(i+imax(9-1)) + buffer2(4+(i-1)kmax) sphi_c(4,9+s_offset_c1) [all …]
H A D	sphi7c	1 buffer1(i+imax(9-1)) = buffer1(i+imax(9-1)) + buffer2(1+(i-1)kmax) sphi_c(1,9+s_offset_c1) 2 buffer1(i+imax(11-1)) = buffer1(i+imax(11-1)) + buffer2(1+(i-1)kmax) sphi_c(1,11+s_offset_c1) 3 buffer1(i+imax(13-1)) = buffer1(i+imax(13-1)) + buffer2(1+(i-1)kmax) sphi_c(1,13+s_offset_c1) 4 buffer1(i+imax(15-1)) = buffer1(i+imax(15-1)) + buffer2(1+(i-1)kmax) sphi_c(1,15+s_offset_c1) 5 buffer1(i+imax(1-1)) = buffer1(i+imax(1-1)) + buffer2(2+(i-1)kmax) sphi_c(2,1+s_offset_c1) 6 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(2+(i-1)kmax) sphi_c(2,3+s_offset_c1) 7 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(2+(i-1)kmax) sphi_c(2,5+s_offset_c1) 8 buffer1(i+imax(7-1)) = buffer1(i+imax(7-1)) + buffer2(2+(i-1)kmax) sphi_c(2,7+s_offset_c1) 9 buffer1(i+imax(8-1)) = buffer1(i+imax(8-1)) + buffer2(3+(i-1)kmax) sphi_c(3,8+s_offset_c1) 13 buffer1(i+imax(9-1)) = buffer1(i+imax(9-1)) + buffer2(4+(i-1)kmax) sphi_c(4,9+s_offset_c1) [all …]
H A D	sphi6c	1 buffer1(i+imax(7-1)) = buffer1(i+imax(7-1)) + buffer2(1+(i-1)kmax) sphi_c(1,7+s_offset_c1) 2 buffer1(i+imax(9-1)) = buffer1(i+imax(9-1)) + buffer2(1+(i-1)kmax) sphi_c(1,9+s_offset_c1) 3 buffer1(i+imax(11-1)) = buffer1(i+imax(11-1)) + buffer2(1+(i-1)kmax) sphi_c(1,11+s_offset_c1) 4 buffer1(i+imax(13-1)) = buffer1(i+imax(13-1)) + buffer2(1+(i-1)kmax) sphi_c(1,13+s_offset_c1) 5 buffer1(i+imax(1-1)) = buffer1(i+imax(1-1)) + buffer2(2+(i-1)kmax) sphi_c(2,1+s_offset_c1) 6 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(2+(i-1)kmax) sphi_c(2,3+s_offset_c1) 7 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(2+(i-1)kmax) sphi_c(2,5+s_offset_c1) 8 buffer1(i+imax(8-1)) = buffer1(i+imax(8-1)) + buffer2(3+(i-1)kmax) sphi_c(3,8+s_offset_c1) 11 buffer1(i+imax(7-1)) = buffer1(i+imax(7-1)) + buffer2(4+(i-1)kmax) sphi_c(4,7+s_offset_c1) 12 buffer1(i+imax(9-1)) = buffer1(i+imax(9-1)) + buffer2(4+(i-1)kmax) sphi_c(4,9+s_offset_c1) [all …]
H A D	sphi5c	1 …buffer1(i+imax( 7 -1)) = buffer1(i+imax( 7 -1)) + buffer2( 1 +(i-1)kmax) sphi_c( 1 , 7 +s_off… 2 …buffer1(i+imax( 9 -1)) = buffer1(i+imax( 9 -1)) + buffer2( 1 +(i-1)kmax) sphi_c( 1 , 9 +s_off… 3 …buffer1(i+imax(11 -1)) = buffer1(i+imax(11 -1)) + buffer2( 1 +(i-1)kmax) sphi_c( 1 ,11 +s_off… 4 …buffer1(i+imax( 1 -1)) = buffer1(i+imax( 1 -1)) + buffer2( 2 +(i-1)kmax) sphi_c( 2 , 1 +s_off… 5 …buffer1(i+imax( 3 -1)) = buffer1(i+imax( 3 -1)) + buffer2( 2 +(i-1)kmax) sphi_c( 2 , 3 +s_off… 6 …buffer1(i+imax( 5 -1)) = buffer1(i+imax( 5 -1)) + buffer2( 2 +(i-1)kmax) sphi_c( 2 , 5 +s_off… 7 …buffer1(i+imax( 6 -1)) = buffer1(i+imax( 6 -1)) + buffer2( 3 +(i-1)kmax) sphi_c( 3 , 6 +s_off… 8 …buffer1(i+imax( 8 -1)) = buffer1(i+imax( 8 -1)) + buffer2( 3 +(i-1)kmax) sphi_c( 3 , 8 +s_off… 9 …buffer1(i+imax(10 -1)) = buffer1(i+imax(10 -1)) + buffer2( 3 +(i-1)kmax) sphi_c( 3 ,10 +s_off… 10 …buffer1(i+imax( 7 -1)) = buffer1(i+imax( 7 -1)) + buffer2( 4 +(i-1)kmax) sphi_c( 4 , 7 +s_off… [all …]
H A D	sphi4c	1 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(1+(i-1)kmax) sphi_c(1,5+s_offset_c1) 2 buffer1(i+imax(7-1)) = buffer1(i+imax(7-1)) + buffer2(1+(i-1)kmax) sphi_c(1,7+s_offset_c1) 3 buffer1(i+imax(9-1)) = buffer1(i+imax(9-1)) + buffer2(1+(i-1)kmax) sphi_c(1,9+s_offset_c1) 4 buffer1(i+imax(1-1)) = buffer1(i+imax(1-1)) + buffer2(2+(i-1)kmax) sphi_c(2,1+s_offset_c1) 5 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(2+(i-1)kmax) sphi_c(2,3+s_offset_c1) 6 buffer1(i+imax(6-1)) = buffer1(i+imax(6-1)) + buffer2(3+(i-1)kmax) sphi_c(3,6+s_offset_c1) 7 buffer1(i+imax(8-1)) = buffer1(i+imax(8-1)) + buffer2(3+(i-1)kmax) sphi_c(3,8+s_offset_c1) 8 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(4+(i-1)kmax) sphi_c(4,5+s_offset_c1) 9 buffer1(i+imax(9-1)) = buffer1(i+imax(9-1)) + buffer2(4+(i-1)kmax) sphi_c(4,9+s_offset_c1) 10 buffer1(i+imax(2-1)) = buffer1(i+imax(2-1)) + buffer2(5+(i-1)kmax) sphi_c(5,2+s_offset_c1) [all …]
H A D	sphi3c	1 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(1+(i-1)kmax) sphi_c(1,5+s_offset_c1) 2 buffer1(i+imax(7-1)) = buffer1(i+imax(7-1)) + buffer2(1+(i-1)kmax) sphi_c(1,7+s_offset_c1) 3 buffer1(i+imax(1-1)) = buffer1(i+imax(1-1)) + buffer2(2+(i-1)kmax) sphi_c(2,1+s_offset_c1) 4 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(2+(i-1)kmax) sphi_c(2,3+s_offset_c1) 5 buffer1(i+imax(4-1)) = buffer1(i+imax(4-1)) + buffer2(3+(i-1)kmax) sphi_c(3,4+s_offset_c1) 6 buffer1(i+imax(6-1)) = buffer1(i+imax(6-1)) + buffer2(3+(i-1)kmax) sphi_c(3,6+s_offset_c1) 7 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(4+(i-1)kmax) sphi_c(4,5+s_offset_c1) 8 buffer1(i+imax(7-1)) = buffer1(i+imax(7-1)) + buffer2(4+(i-1)kmax) sphi_c(4,7+s_offset_c1) 9 buffer1(i+imax(2-1)) = buffer1(i+imax(2-1)) + buffer2(5+(i-1)kmax) sphi_c(5,2+s_offset_c1) 10 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(6+(i-1)kmax) sphi_c(6,5+s_offset_c1) [all …]
H A D	sphi2c	1 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(1+(i-1)kmax) sphi_c(1,3+s_offset_c1) 2 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(1+(i-1)kmax) sphi_c(1,5+s_offset_c1) 3 buffer1(i+imax(1-1)) = buffer1(i+imax(1-1)) + buffer2(2+(i-1)kmax) sphi_c(2,1+s_offset_c1) 4 buffer1(i+imax(4-1)) = buffer1(i+imax(4-1)) + buffer2(3+(i-1)kmax) sphi_c(3,4+s_offset_c1) 5 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(4+(i-1)kmax) sphi_c(4,3+s_offset_c1) 6 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(4+(i-1)kmax) sphi_c(4,5+s_offset_c1) 7 buffer1(i+imax(2-1)) = buffer1(i+imax(2-1)) + buffer2(5+(i-1)kmax) sphi_c(5,2+s_offset_c1) 8 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(6+(i-1)kmax) sphi_c(6,3+s_offset_c1)
H A D	sphi1c	`1 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(1+(i-1)kmax) sphi_c(1,3+s_offset_c1) 2 buffer1(i+imax(1-1)) = buffer1(i+imax(1-1)) + buffer2(2+(i-1)kmax) sphi_c(2,1+s_offset_c1) 3 buffer1(i+imax(2-1)) = buffer1(i+imax(2-1)) + buffer2(3+(i-1)kmax) sphi_c(3,2+s_offset_c1)`
H A D	part1	`5 sphi_a, sphi_b, sphi_c, sphi_d,& 15 REAL(dp), DIMENSION(ncoc,nsoc*nl_c), INTENT(IN) :: sphi_c`
/dports/science/cp2k-data/cp2k-7.1.0/tools/hfx_tools/contraction/templates/
H A D	sphi10c	1 buffer1(i+imax(11-1)) = buffer1(i+imax(11-1)) + buffer2(1+(i-1)kmax) sphi_c(1,11+s_offset_c1) 2 buffer1(i+imax(13-1)) = buffer1(i+imax(13-1)) + buffer2(1+(i-1)kmax) sphi_c(1,13+s_offset_c1) 3 buffer1(i+imax(15-1)) = buffer1(i+imax(15-1)) + buffer2(1+(i-1)kmax) sphi_c(1,15+s_offset_c1) 4 buffer1(i+imax(17-1)) = buffer1(i+imax(17-1)) + buffer2(1+(i-1)kmax) sphi_c(1,17+s_offset_c1) 5 buffer1(i+imax(19-1)) = buffer1(i+imax(19-1)) + buffer2(1+(i-1)kmax) sphi_c(1,19+s_offset_c1) 6 buffer1(i+imax(21-1)) = buffer1(i+imax(21-1)) + buffer2(1+(i-1)kmax) sphi_c(1,21+s_offset_c1) 7 buffer1(i+imax(1-1)) = buffer1(i+imax(1-1)) + buffer2(2+(i-1)kmax) sphi_c(2,1+s_offset_c1) 8 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(2+(i-1)kmax) sphi_c(2,3+s_offset_c1) 9 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(2+(i-1)kmax) sphi_c(2,5+s_offset_c1) 10 buffer1(i+imax(7-1)) = buffer1(i+imax(7-1)) + buffer2(2+(i-1)kmax) sphi_c(2,7+s_offset_c1) [all …]
H A D	sphi9c	1 buffer1(i+imax(11-1)) = buffer1(i+imax(11-1)) + buffer2(1+(i-1)kmax) sphi_c(1,11+s_offset_c1) 2 buffer1(i+imax(13-1)) = buffer1(i+imax(13-1)) + buffer2(1+(i-1)kmax) sphi_c(1,13+s_offset_c1) 3 buffer1(i+imax(15-1)) = buffer1(i+imax(15-1)) + buffer2(1+(i-1)kmax) sphi_c(1,15+s_offset_c1) 4 buffer1(i+imax(17-1)) = buffer1(i+imax(17-1)) + buffer2(1+(i-1)kmax) sphi_c(1,17+s_offset_c1) 5 buffer1(i+imax(19-1)) = buffer1(i+imax(19-1)) + buffer2(1+(i-1)kmax) sphi_c(1,19+s_offset_c1) 6 buffer1(i+imax(1-1)) = buffer1(i+imax(1-1)) + buffer2(2+(i-1)kmax) sphi_c(2,1+s_offset_c1) 7 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(2+(i-1)kmax) sphi_c(2,3+s_offset_c1) 8 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(2+(i-1)kmax) sphi_c(2,5+s_offset_c1) 9 buffer1(i+imax(7-1)) = buffer1(i+imax(7-1)) + buffer2(2+(i-1)kmax) sphi_c(2,7+s_offset_c1) 10 buffer1(i+imax(9-1)) = buffer1(i+imax(9-1)) + buffer2(2+(i-1)kmax) sphi_c(2,9+s_offset_c1) [all …]
H A D	sphi8c	1 buffer1(i+imax(9-1)) = buffer1(i+imax(9-1)) + buffer2(1+(i-1)kmax) sphi_c(1,9+s_offset_c1) 2 buffer1(i+imax(11-1)) = buffer1(i+imax(11-1)) + buffer2(1+(i-1)kmax) sphi_c(1,11+s_offset_c1) 3 buffer1(i+imax(13-1)) = buffer1(i+imax(13-1)) + buffer2(1+(i-1)kmax) sphi_c(1,13+s_offset_c1) 4 buffer1(i+imax(15-1)) = buffer1(i+imax(15-1)) + buffer2(1+(i-1)kmax) sphi_c(1,15+s_offset_c1) 5 buffer1(i+imax(17-1)) = buffer1(i+imax(17-1)) + buffer2(1+(i-1)kmax) sphi_c(1,17+s_offset_c1) 6 buffer1(i+imax(1-1)) = buffer1(i+imax(1-1)) + buffer2(2+(i-1)kmax) sphi_c(2,1+s_offset_c1) 7 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(2+(i-1)kmax) sphi_c(2,3+s_offset_c1) 8 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(2+(i-1)kmax) sphi_c(2,5+s_offset_c1) 9 buffer1(i+imax(7-1)) = buffer1(i+imax(7-1)) + buffer2(2+(i-1)kmax) sphi_c(2,7+s_offset_c1) 14 buffer1(i+imax(9-1)) = buffer1(i+imax(9-1)) + buffer2(4+(i-1)kmax) sphi_c(4,9+s_offset_c1) [all …]
H A D	sphi7c	1 buffer1(i+imax(9-1)) = buffer1(i+imax(9-1)) + buffer2(1+(i-1)kmax) sphi_c(1,9+s_offset_c1) 2 buffer1(i+imax(11-1)) = buffer1(i+imax(11-1)) + buffer2(1+(i-1)kmax) sphi_c(1,11+s_offset_c1) 3 buffer1(i+imax(13-1)) = buffer1(i+imax(13-1)) + buffer2(1+(i-1)kmax) sphi_c(1,13+s_offset_c1) 4 buffer1(i+imax(15-1)) = buffer1(i+imax(15-1)) + buffer2(1+(i-1)kmax) sphi_c(1,15+s_offset_c1) 5 buffer1(i+imax(1-1)) = buffer1(i+imax(1-1)) + buffer2(2+(i-1)kmax) sphi_c(2,1+s_offset_c1) 6 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(2+(i-1)kmax) sphi_c(2,3+s_offset_c1) 7 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(2+(i-1)kmax) sphi_c(2,5+s_offset_c1) 8 buffer1(i+imax(7-1)) = buffer1(i+imax(7-1)) + buffer2(2+(i-1)kmax) sphi_c(2,7+s_offset_c1) 9 buffer1(i+imax(8-1)) = buffer1(i+imax(8-1)) + buffer2(3+(i-1)kmax) sphi_c(3,8+s_offset_c1) 13 buffer1(i+imax(9-1)) = buffer1(i+imax(9-1)) + buffer2(4+(i-1)kmax) sphi_c(4,9+s_offset_c1) [all …]
H A D	sphi6c	1 buffer1(i+imax(7-1)) = buffer1(i+imax(7-1)) + buffer2(1+(i-1)kmax) sphi_c(1,7+s_offset_c1) 2 buffer1(i+imax(9-1)) = buffer1(i+imax(9-1)) + buffer2(1+(i-1)kmax) sphi_c(1,9+s_offset_c1) 3 buffer1(i+imax(11-1)) = buffer1(i+imax(11-1)) + buffer2(1+(i-1)kmax) sphi_c(1,11+s_offset_c1) 4 buffer1(i+imax(13-1)) = buffer1(i+imax(13-1)) + buffer2(1+(i-1)kmax) sphi_c(1,13+s_offset_c1) 5 buffer1(i+imax(1-1)) = buffer1(i+imax(1-1)) + buffer2(2+(i-1)kmax) sphi_c(2,1+s_offset_c1) 6 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(2+(i-1)kmax) sphi_c(2,3+s_offset_c1) 7 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(2+(i-1)kmax) sphi_c(2,5+s_offset_c1) 8 buffer1(i+imax(8-1)) = buffer1(i+imax(8-1)) + buffer2(3+(i-1)kmax) sphi_c(3,8+s_offset_c1) 11 buffer1(i+imax(7-1)) = buffer1(i+imax(7-1)) + buffer2(4+(i-1)kmax) sphi_c(4,7+s_offset_c1) 12 buffer1(i+imax(9-1)) = buffer1(i+imax(9-1)) + buffer2(4+(i-1)kmax) sphi_c(4,9+s_offset_c1) [all …]
H A D	sphi5c	1 …buffer1(i+imax( 7 -1)) = buffer1(i+imax( 7 -1)) + buffer2( 1 +(i-1)kmax) sphi_c( 1 , 7 +s_off… 2 …buffer1(i+imax( 9 -1)) = buffer1(i+imax( 9 -1)) + buffer2( 1 +(i-1)kmax) sphi_c( 1 , 9 +s_off… 3 …buffer1(i+imax(11 -1)) = buffer1(i+imax(11 -1)) + buffer2( 1 +(i-1)kmax) sphi_c( 1 ,11 +s_off… 4 …buffer1(i+imax( 1 -1)) = buffer1(i+imax( 1 -1)) + buffer2( 2 +(i-1)kmax) sphi_c( 2 , 1 +s_off… 5 …buffer1(i+imax( 3 -1)) = buffer1(i+imax( 3 -1)) + buffer2( 2 +(i-1)kmax) sphi_c( 2 , 3 +s_off… 6 …buffer1(i+imax( 5 -1)) = buffer1(i+imax( 5 -1)) + buffer2( 2 +(i-1)kmax) sphi_c( 2 , 5 +s_off… 7 …buffer1(i+imax( 6 -1)) = buffer1(i+imax( 6 -1)) + buffer2( 3 +(i-1)kmax) sphi_c( 3 , 6 +s_off… 8 …buffer1(i+imax( 8 -1)) = buffer1(i+imax( 8 -1)) + buffer2( 3 +(i-1)kmax) sphi_c( 3 , 8 +s_off… 9 …buffer1(i+imax(10 -1)) = buffer1(i+imax(10 -1)) + buffer2( 3 +(i-1)kmax) sphi_c( 3 ,10 +s_off… 10 …buffer1(i+imax( 7 -1)) = buffer1(i+imax( 7 -1)) + buffer2( 4 +(i-1)kmax) sphi_c( 4 , 7 +s_off… [all …]
H A D	sphi4c	1 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(1+(i-1)kmax) sphi_c(1,5+s_offset_c1) 2 buffer1(i+imax(7-1)) = buffer1(i+imax(7-1)) + buffer2(1+(i-1)kmax) sphi_c(1,7+s_offset_c1) 3 buffer1(i+imax(9-1)) = buffer1(i+imax(9-1)) + buffer2(1+(i-1)kmax) sphi_c(1,9+s_offset_c1) 4 buffer1(i+imax(1-1)) = buffer1(i+imax(1-1)) + buffer2(2+(i-1)kmax) sphi_c(2,1+s_offset_c1) 5 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(2+(i-1)kmax) sphi_c(2,3+s_offset_c1) 6 buffer1(i+imax(6-1)) = buffer1(i+imax(6-1)) + buffer2(3+(i-1)kmax) sphi_c(3,6+s_offset_c1) 7 buffer1(i+imax(8-1)) = buffer1(i+imax(8-1)) + buffer2(3+(i-1)kmax) sphi_c(3,8+s_offset_c1) 8 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(4+(i-1)kmax) sphi_c(4,5+s_offset_c1) 9 buffer1(i+imax(9-1)) = buffer1(i+imax(9-1)) + buffer2(4+(i-1)kmax) sphi_c(4,9+s_offset_c1) 10 buffer1(i+imax(2-1)) = buffer1(i+imax(2-1)) + buffer2(5+(i-1)kmax) sphi_c(5,2+s_offset_c1) [all …]
H A D	sphi3c	1 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(1+(i-1)kmax) sphi_c(1,5+s_offset_c1) 2 buffer1(i+imax(7-1)) = buffer1(i+imax(7-1)) + buffer2(1+(i-1)kmax) sphi_c(1,7+s_offset_c1) 3 buffer1(i+imax(1-1)) = buffer1(i+imax(1-1)) + buffer2(2+(i-1)kmax) sphi_c(2,1+s_offset_c1) 4 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(2+(i-1)kmax) sphi_c(2,3+s_offset_c1) 5 buffer1(i+imax(4-1)) = buffer1(i+imax(4-1)) + buffer2(3+(i-1)kmax) sphi_c(3,4+s_offset_c1) 6 buffer1(i+imax(6-1)) = buffer1(i+imax(6-1)) + buffer2(3+(i-1)kmax) sphi_c(3,6+s_offset_c1) 7 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(4+(i-1)kmax) sphi_c(4,5+s_offset_c1) 8 buffer1(i+imax(7-1)) = buffer1(i+imax(7-1)) + buffer2(4+(i-1)kmax) sphi_c(4,7+s_offset_c1) 9 buffer1(i+imax(2-1)) = buffer1(i+imax(2-1)) + buffer2(5+(i-1)kmax) sphi_c(5,2+s_offset_c1) 10 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(6+(i-1)kmax) sphi_c(6,5+s_offset_c1) [all …]
H A D	sphi2c	1 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(1+(i-1)kmax) sphi_c(1,3+s_offset_c1) 2 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(1+(i-1)kmax) sphi_c(1,5+s_offset_c1) 3 buffer1(i+imax(1-1)) = buffer1(i+imax(1-1)) + buffer2(2+(i-1)kmax) sphi_c(2,1+s_offset_c1) 4 buffer1(i+imax(4-1)) = buffer1(i+imax(4-1)) + buffer2(3+(i-1)kmax) sphi_c(3,4+s_offset_c1) 5 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(4+(i-1)kmax) sphi_c(4,3+s_offset_c1) 6 buffer1(i+imax(5-1)) = buffer1(i+imax(5-1)) + buffer2(4+(i-1)kmax) sphi_c(4,5+s_offset_c1) 7 buffer1(i+imax(2-1)) = buffer1(i+imax(2-1)) + buffer2(5+(i-1)kmax) sphi_c(5,2+s_offset_c1) 8 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(6+(i-1)kmax) sphi_c(6,3+s_offset_c1)
H A D	sphi1c	`1 buffer1(i+imax(3-1)) = buffer1(i+imax(3-1)) + buffer2(1+(i-1)kmax) sphi_c(1,3+s_offset_c1) 2 buffer1(i+imax(1-1)) = buffer1(i+imax(1-1)) + buffer2(2+(i-1)kmax) sphi_c(2,1+s_offset_c1) 3 buffer1(i+imax(2-1)) = buffer1(i+imax(2-1)) + buffer2(3+(i-1)kmax) sphi_c(3,2+s_offset_c1)`
/dports/science/cp2k-data/cp2k-7.1.0/src/hfxbase/
H A D	hfx_contraction_methods.F	`100 MARK_USED(sphi_c) 127 sphi_c, & 144 sphi_c, & 161 sphi_c, & 603 sphi_c, & 2601 sphi_c, & 5098 sphi_c, & 7595 sphi_c, & 10092 sphi_c, & 12589 sphi_c, & [all …]`
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/hfxbase/
H A D	hfx_contraction_methods.F	`100 MARK_USED(sphi_c) 127 sphi_c, & 144 sphi_c, & 161 sphi_c, & 603 sphi_c, & 2601 sphi_c, & 5098 sphi_c, & 7595 sphi_c, & 10092 sphi_c, & 12589 sphi_c, & [all …]`
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/
H A D	ai_contraction_sphi.F	96 SUBROUTINE abc_contract(abcint, sabc, sphi_a, sphi_b, sphi_c, ncoa, ncob, ncoc, & argument 100 REAL(KIND=dp), DIMENSION(:, :) :: sphi_a, sphi_b, sphi_c local 116 msphic = SIZE(sphi_c, 1) 129 … CALL dgemm("N", "N", nsgfansgfb, nsgfc, ncoc, 1._dp, cpc, nsgfansgfb, sphi_c, msphic, 0.0_dp, & 156 SUBROUTINE abcd_contract(abcdint, sabcd, sphi_a, sphi_b, sphi_c, sphi_d, ncoa, ncob, & argument 162 REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: sphi_a, sphi_b, sphi_c, sphi_d local 178 msphic = SIZE(sphi_c, 1) 205 sphi_c, msphic, 0.0_dp, temp_cpcc, nsgfa*m2) 242 SUBROUTINE libxsmm_abc_contract(abcint, sabc, tsphi_a, sphi_b, sphi_c, ncoa, ncob, ncoc, & argument 246 REAL(dp), DIMENSION(:, :) :: tsphi_a, sphi_b, sphi_c local [all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/
H A D	ai_contraction_sphi.F	87 SUBROUTINE abc_contract(abcint, sabc, sphi_a, sphi_b, sphi_c, ncoa, ncob, ncoc, & argument 91 REAL(KIND=dp), DIMENSION(:, :) :: sphi_a, sphi_b, sphi_c local 107 msphic = SIZE(sphi_c, 1) 120 … CALL dgemm("N", "N", nsgfansgfb, nsgfc, ncoc, 1._dp, cpc, nsgfansgfb, sphi_c, msphic, 0.0_dp, & 147 SUBROUTINE abcd_contract(abcdint, sabcd, sphi_a, sphi_b, sphi_c, sphi_d, ncoa, ncob, & argument 153 REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: sphi_a, sphi_b, sphi_c, sphi_d local 169 msphic = SIZE(sphi_c, 1) 196 sphi_c, msphic, 0.0_dp, temp_cpcc, nsgfa*m2)