avoid array overflows and silence compiler warnings from unused parameters

This commit is contained in:
Axel Kohlmeyer
2018-11-20 22:40:46 -05:00
parent 090fc7bc8a
commit a91d89b516
18 changed files with 32 additions and 31 deletions

View File

@ -0,0 +1,25 @@
Created by AJB
4 atoms
2 atom types
-0.529177 0.529177 xlo xhi
-0.529177 0.529177 ylo yhi
-0.529177 0.529177 zlo zhi
Masses
1 1.000794 # H nuclei mass
2 0.000544616997098749 # electron mass
Atoms
1 1 1.0 0 0.000000 0 1.0 0.0 -0.1322943 0.000000 0.000000 # 0-tag 1-type 2-q 3-spin 4-eradius 5-etag 6-cs_re 7-cs_im 8-x 9-y 10-z
2 2 -1.0 1 0.1 3 1.0 0.0 -0.1322943 0.000000 0.000000
3 1 1.0 0 0.000000 0 1.0 0.0 0.1322943 0.000000 0.000000
4 2 -1.0 -1 0.1 4 1.0 0.0 0.1322943 0.000000 0.000000
5 2 -1.0 -1 0.1 4 1.0 0.0 0.264589 0.000000 0.000000 # additional WP for the second electron