| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/gradients/ |
| H A D | ccsdt_left.F | 1 subroutine ccsdt_left(d_f1,d_lr1,d_lr2,d_lr3,d_t1,d_t2,d_t3, argument
17 integer d_f1,d_lr1,d_lr2,d_lr3,d_t1,d_t2,d_t3
51 call createfile(filename,d_lr3,size_l3)
52 call ccsdt_lambda3(d_f1,d_lr3,d_t1,d_t2,d_v2,d_lambda1,
56 call reconcilefile(d_lr3,size_l3)
59 r3 = ddotfile(d_lr3,d_lr3,size_l3)
68 call deletefile(d_lr3)
77 3 d_lr3,d_lambda3,k_l3_offset,size_l3,
79 call deletefile(d_lr3)
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| H A D | ccsdtq_left.F | 1 subroutine ccsdtq_left(d_f1,d_lr1,d_lr2,d_lr3,d_lr4, argument
22 integer d_lr1,d_lr2,d_lr3,d_lr4
67 call createfile(filename,d_lr3,size_l3)
68 call ccsdtq_lambda3(d_f1,d_lr3,d_t1,d_t2,d_t3,d_v2,
73 call reconcilefile(d_lr3,size_l3)
83 r3 = ddotfile(d_lr3,d_lr3,size_l3)
94 call deletefile(d_lr3)
103 3 d_lr3,d_lambda3,k_l3_offset,size_l3,
106 call deletefile(d_lr3)
|
| H A D | tce_gradient.F | 211 integer d_lr3 ! Lambda 3 residual file
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/gradients/ |
| H A D | ccsdt_left.F | 1 subroutine ccsdt_left(d_f1,d_lr1,d_lr2,d_lr3,d_t1,d_t2,d_t3, argument
17 integer d_f1,d_lr1,d_lr2,d_lr3,d_t1,d_t2,d_t3
51 call createfile(filename,d_lr3,size_l3)
52 call ccsdt_lambda3(d_f1,d_lr3,d_t1,d_t2,d_v2,d_lambda1,
56 call reconcilefile(d_lr3,size_l3)
59 r3 = ddotfile(d_lr3,d_lr3,size_l3)
68 call deletefile(d_lr3)
77 3 d_lr3,d_lambda3,k_l3_offset,size_l3,
79 call deletefile(d_lr3)
|
| H A D | ccsdtq_left.F | 1 subroutine ccsdtq_left(d_f1,d_lr1,d_lr2,d_lr3,d_lr4, argument
22 integer d_lr1,d_lr2,d_lr3,d_lr4
67 call createfile(filename,d_lr3,size_l3)
68 call ccsdtq_lambda3(d_f1,d_lr3,d_t1,d_t2,d_t3,d_v2,
73 call reconcilefile(d_lr3,size_l3)
83 r3 = ddotfile(d_lr3,d_lr3,size_l3)
94 call deletefile(d_lr3)
103 3 d_lr3,d_lambda3,k_l3_offset,size_l3,
106 call deletefile(d_lr3)
|
| H A D | tce_gradient.F | 211 integer d_lr3 ! Lambda 3 residual file
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ |
| H A D | tce_energy.F | 298 integer d_lr3 ! Lambda 3 residual file
4092 call createfile(filename,d_lr3,size_l3)
4097 call reconcilefile(d_lr3,size_l3)
4100 r3 = ddotfile(d_lr3,d_lr3,size_l3)
4119 call deletefile(d_lr3)
4194 call deletefile(d_lr3)
5374 call createfile(filename,d_lr3,size_l3)
5380 call reconcilefile(d_lr3,size_l3)
5390 r3 = ddotfile(d_lr3,d_lr3,size_l3)
5413 call deletefile(d_lr3)
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ |
| H A D | tce_energy.F | 298 integer d_lr3 ! Lambda 3 residual file
4092 call createfile(filename,d_lr3,size_l3)
4097 call reconcilefile(d_lr3,size_l3)
4100 r3 = ddotfile(d_lr3,d_lr3,size_l3)
4119 call deletefile(d_lr3)
4194 call deletefile(d_lr3)
5374 call createfile(filename,d_lr3,size_l3)
5380 call reconcilefile(d_lr3,size_l3)
5390 r3 = ddotfile(d_lr3,d_lr3,size_l3)
5413 call deletefile(d_lr3)
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/include/ |
| H A D | tce_amps.fh | 82 integer d_lr3 ! Lambda 3 residual file
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/include/ |
| H A D | tce_amps.fh | 82 integer d_lr3 ! Lambda 3 residual file
|