Searched refs:p1_shell (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | spme.F | 191 IF (p1_shell == 0) EXIT
203 IF (p1_shell == 0) EXIT
271 IF (p1_shell == 0) EXIT
283 IF (p1_shell == 0) EXIT
389 IF (p1_shell == 0) EXIT
396 fgshell_coulomb(1, p1_shell) = fgshell_coulomb(1, p1_shell) - fat(1)*dvols
397 fgshell_coulomb(2, p1_shell) = fgshell_coulomb(2, p1_shell) - fat(2)*dvols
398 fgshell_coulomb(3, p1_shell) = fgshell_coulomb(3, p1_shell) - fat(3)*dvols
416 fgcore_coulomb(1, p1_shell) = fgcore_coulomb(1, p1_shell) - fat(1)*dvols
417 fgcore_coulomb(2, p1_shell) = fgcore_coulomb(2, p1_shell) - fat(2)*dvols
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | spme.F | 191 IF (p1_shell == 0) EXIT
203 IF (p1_shell == 0) EXIT
271 IF (p1_shell == 0) EXIT
283 IF (p1_shell == 0) EXIT
389 IF (p1_shell == 0) EXIT
396 fgshell_coulomb(1, p1_shell) = fgshell_coulomb(1, p1_shell) - fat(1)*dvols
397 fgshell_coulomb(2, p1_shell) = fgshell_coulomb(2, p1_shell) - fat(2)*dvols
398 fgshell_coulomb(3, p1_shell) = fgshell_coulomb(3, p1_shell) - fat(3)*dvols
416 fgcore_coulomb(1, p1_shell) = fgcore_coulomb(1, p1_shell) - fat(1)*dvols
417 fgcore_coulomb(2, p1_shell) = fgcore_coulomb(2, p1_shell) - fat(2)*dvols
[all …]
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