change formatting so that sphinx is happier

This commit is contained in:
Axel Kohlmeyer
2019-09-11 14:17:53 -04:00
parent 22fde86fd0
commit ae1054a243

View File

@ -142,21 +142,21 @@ Line 2: comment or blank (ignored)
Line 3: N_LD N_rho (# of LD potentials and # of tabulated values, single space separated)
Line 4: blank (ignored)
Line 5: R1(k) R2(k) (lower and upper cutoffs, single space separated)
Line 6: central-types (central atom types, single space separated)
Line 7: neighbor-types (neighbor atom types single space separated)
Line 8: rho_min rho_max drho (min, max and diff. in tabulated rho values, single space separated)
Line 9: F(k)(rho_min + 0.drho)
Line 10: F(k)(rho_min + 1.drho)
Line 11: F(k)(rho_min + 2.drho)
............
Line 6: central-types (central atom types, single space separated)
Line 7: neighbor-types (neighbor atom types single space separated)
Line 8: rho_min rho_max drho (min, max and diff. in tabulated rho values, single space separated)
Line 9: F(k)(rho_min + 0.drho)
Line 10: F(k)(rho_min + 1.drho)
Line 11: F(k)(rho_min + 2.drho)
...
Line 9+N_rho: F(k)(rho_min + N_rho . drho)
Line 10+N_rho: blank (ignored) :ul
Line 10+N_rho: blank (ignored) :pre
Block 2 :ul
Block 2 :pre
Block 3 :ul
Block 3 :pre
Block N_LD :ul
Block N_LD :pre
Lines 5 to 9+N_rho constitute the first block. Thus the input file is separated
(by blank lines) into N_LD blocks each representing a separate LD potential and