vasputils 0.0.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (209) hide show
  1. data/.document +5 -0
  2. data/Gemfile +18 -0
  3. data/LICENSE.txt +20 -0
  4. data/README.rdoc +19 -0
  5. data/Rakefile +54 -0
  6. data/VERSION +1 -0
  7. data/bin/addVolumeToten.rb +19 -0
  8. data/bin/latticeconstants +14 -0
  9. data/bin/lsvaspdir +60 -0
  10. data/bin/lsvaspseries +95 -0
  11. data/bin/repeatvasp +47 -0
  12. data/bin/symposcar +154 -0
  13. data/lib/vasputils/calcinspector.rb +24 -0
  14. data/lib/vasputils/calcrepeater.rb +27 -0
  15. data/lib/vasputils/calcseries.rb +98 -0
  16. data/lib/vasputils/incar.rb +55 -0
  17. data/lib/vasputils/kpoints.rb +41 -0
  18. data/lib/vasputils/outcar.rb +59 -0
  19. data/lib/vasputils/poscar.rb +168 -0
  20. data/lib/vasputils/potcar.rb +18 -0
  21. data/lib/vasputils/vaspdir.rb +278 -0
  22. data/lib/vasputils.rb +0 -0
  23. data/test/calcseries/dup_finished/try00/CONTCAR +17 -0
  24. data/test/calcseries/dup_finished/try00/INCAR +28 -0
  25. data/test/calcseries/dup_finished/try00/KPOINTS +6 -0
  26. data/test/calcseries/dup_finished/try00/OUTCAR +28 -0
  27. data/test/calcseries/dup_finished/try00/POSCAR +12 -0
  28. data/test/calcseries/dup_finished/try00/POTCAR +2 -0
  29. data/test/calcseries/dup_finished/try00/lock +0 -0
  30. data/test/calcseries/dup_finished/try01/CONTCAR +17 -0
  31. data/test/calcseries/dup_finished/try01/INCAR +28 -0
  32. data/test/calcseries/dup_finished/try01/KPOINTS +6 -0
  33. data/test/calcseries/dup_finished/try01/OUTCAR +28 -0
  34. data/test/calcseries/dup_finished/try01/POSCAR +12 -0
  35. data/test/calcseries/dup_finished/try01/POTCAR +2 -0
  36. data/test/calcseries/dup_finished/try01/lock +0 -0
  37. data/test/calcseries/normal_finished/try00/CONTCAR +17 -0
  38. data/test/calcseries/normal_finished/try00/INCAR +28 -0
  39. data/test/calcseries/normal_finished/try00/KPOINTS +6 -0
  40. data/test/calcseries/normal_finished/try00/OUTCAR +40 -0
  41. data/test/calcseries/normal_finished/try00/POSCAR +12 -0
  42. data/test/calcseries/normal_finished/try00/POTCAR +2 -0
  43. data/test/calcseries/normal_finished/try00/lock +0 -0
  44. data/test/calcseries/normal_finished/try01/CONTCAR +17 -0
  45. data/test/calcseries/normal_finished/try01/INCAR +28 -0
  46. data/test/calcseries/normal_finished/try01/KPOINTS +6 -0
  47. data/test/calcseries/normal_finished/try01/OUTCAR +33 -0
  48. data/test/calcseries/normal_finished/try01/POSCAR +12 -0
  49. data/test/calcseries/normal_finished/try01/POTCAR +2 -0
  50. data/test/calcseries/normal_finished/try01/lock +0 -0
  51. data/test/calcseries/not_finished/try00/CONTCAR +17 -0
  52. data/test/calcseries/not_finished/try00/INCAR +28 -0
  53. data/test/calcseries/not_finished/try00/KPOINTS +6 -0
  54. data/test/calcseries/not_finished/try00/OUTCAR +38 -0
  55. data/test/calcseries/not_finished/try00/POSCAR +12 -0
  56. data/test/calcseries/not_finished/try00/POTCAR +2 -0
  57. data/test/calcseries/not_finished/try00/lock +0 -0
  58. data/test/helper.rb +17 -0
  59. data/test/incar/INCAR.00 +35 -0
  60. data/test/incar/INCAR.01 +28 -0
  61. data/test/kpoints/g123-456 +6 -0
  62. data/test/kpoints/m123-456 +6 -0
  63. data/test/outcar/01-03-INT.OUTCAR +619 -0
  64. data/test/outcar/01-13-FIN.OUTCAR +1436 -0
  65. data/test/outcar/02-05-FIN.OUTCAR +2025 -0
  66. data/test/outcar/03-05-FIN.OUTCAR +2602 -0
  67. data/test/outcar/10-01-FIN.OUTCAR +437 -0
  68. data/test/poscar/NOT_POSCAR +0 -0
  69. data/test/poscar/POSCAR.00 +10 -0
  70. data/test/poscar/POSCAR.01 +12 -0
  71. data/test/poscarparser/POSCAR.00 +10 -0
  72. data/test/poscarparser/POSCAR.01 +12 -0
  73. data/test/potcar/POTCAR +5279 -0
  74. data/test/potcar/POTCAR.allElement +165 -0
  75. data/test/potcar/POTCAR.dummy +3 -0
  76. data/test/repeatVasp/Iter2-Nsw2.00/INCAR +35 -0
  77. data/test/repeatVasp/Iter2-Nsw2.00/KPOINTS +6 -0
  78. data/test/repeatVasp/Iter2-Nsw2.00/POSCAR +12 -0
  79. data/test/repeatVasp/Iter2-Nsw2.00/POTCAR +3151 -0
  80. data/test/repeatVasp/test.sh +3 -0
  81. data/test/test_calcinspector.rb +53 -0
  82. data/test/test_calcrepeater.rb +69 -0
  83. data/test/test_calcseries.rb +77 -0
  84. data/test/test_incar.rb +126 -0
  85. data/test/test_kpoints.rb +110 -0
  86. data/test/test_outcar.rb +162 -0
  87. data/test/test_poscar.rb +209 -0
  88. data/test/test_potcar.rb +65 -0
  89. data/test/test_vaspdir.rb +253 -0
  90. data/test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/CONTCAR +17 -0
  91. data/test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/INCAR +27 -0
  92. data/test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/KPOINTS +6 -0
  93. data/test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/OUTCAR +1436 -0
  94. data/test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/POSCAR +12 -0
  95. data/test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/POTCAR +3151 -0
  96. data/test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/lock +0 -0
  97. data/test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/CONTCAR +17 -0
  98. data/test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/INCAR +28 -0
  99. data/test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/KPOINTS +6 -0
  100. data/test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/OUTCAR +1436 -0
  101. data/test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/POSCAR +12 -0
  102. data/test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/POTCAR +3151 -0
  103. data/test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/lock +0 -0
  104. data/test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/CONTCAR +17 -0
  105. data/test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/INCAR +28 -0
  106. data/test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/KPOINTS +6 -0
  107. data/test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/OUTCAR +1436 -0
  108. data/test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/POSCAR +12 -0
  109. data/test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/POTCAR +3151 -0
  110. data/test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/lock +0 -0
  111. data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/CONTCAR +17 -0
  112. data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/INCAR +28 -0
  113. data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/KPOINTS +6 -0
  114. data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/OUTCAR +1436 -0
  115. data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/POSCAR +12 -0
  116. data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/POTCAR +3151 -0
  117. data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/lock +0 -0
  118. data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/CONTCAR +17 -0
  119. data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/INCAR +28 -0
  120. data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/KPOINTS +6 -0
  121. data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/OUTCAR +2602 -0
  122. data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/POSCAR +12 -0
  123. data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/POTCAR +3151 -0
  124. data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/lock +0 -0
  125. data/test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/CONTCAR +17 -0
  126. data/test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/INCAR +28 -0
  127. data/test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/KPOINTS +6 -0
  128. data/test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/OUTCAR +1436 -0
  129. data/test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/POSCAR +12 -0
  130. data/test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/POTCAR +3151 -0
  131. data/test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/lock +0 -0
  132. data/test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/CONTCAR +17 -0
  133. data/test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/INCAR +28 -0
  134. data/test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/KPOINTS +6 -0
  135. data/test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/OUTCAR +1436 -0
  136. data/test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/POSCAR +12 -0
  137. data/test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/POTCAR +3151 -0
  138. data/test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/lock +0 -0
  139. data/test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/CONTCAR +17 -0
  140. data/test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/INCAR +28 -0
  141. data/test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/KPOINTS +6 -0
  142. data/test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/OUTCAR +2025 -0
  143. data/test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/POSCAR +12 -0
  144. data/test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/POTCAR +3151 -0
  145. data/test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/lock +0 -0
  146. data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/CONTCAR +0 -0
  147. data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/INCAR +28 -0
  148. data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/KPOINTS +6 -0
  149. data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/OUTCAR +619 -0
  150. data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/POSCAR +12 -0
  151. data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/POTCAR +3151 -0
  152. data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/lock +0 -0
  153. data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/CONTCAR +17 -0
  154. data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/INCAR +28 -0
  155. data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/KPOINTS +6 -0
  156. data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/OUTCAR +2602 -0
  157. data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/POSCAR +12 -0
  158. data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/POTCAR +3151 -0
  159. data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/lock +0 -0
  160. data/test/vaspdir/PI/INCAR +28 -0
  161. data/test/vaspdir/PI/KPOINTS +5 -0
  162. data/test/vaspdir/PI/PI12345 +0 -0
  163. data/test/vaspdir/PI/POSCAR +57 -0
  164. data/test/vaspdir/PI/POTCAR +698 -0
  165. data/test/vaspdir/lack-INCAR/KPOINTS +5 -0
  166. data/test/vaspdir/lack-INCAR/POSCAR +57 -0
  167. data/test/vaspdir/lack-INCAR/POTCAR +698 -0
  168. data/test/vaspdir/lack-KPOINTS/INCAR +28 -0
  169. data/test/vaspdir/lack-KPOINTS/POSCAR +57 -0
  170. data/test/vaspdir/lack-KPOINTS/POTCAR +698 -0
  171. data/test/vaspdir/lack-POSCAR/INCAR +28 -0
  172. data/test/vaspdir/lack-POSCAR/KPOINTS +5 -0
  173. data/test/vaspdir/lack-POSCAR/POTCAR +698 -0
  174. data/test/vaspdir/lack-POTCAR/INCAR +28 -0
  175. data/test/vaspdir/lack-POTCAR/KPOINTS +5 -0
  176. data/test/vaspdir/lack-POTCAR/POSCAR +57 -0
  177. data/test/vaspdir/lock/INCAR +28 -0
  178. data/test/vaspdir/lock/KPOINTS +5 -0
  179. data/test/vaspdir/lock/POSCAR +57 -0
  180. data/test/vaspdir/lock/POTCAR +698 -0
  181. data/test/vaspdir/lock/lock +0 -0
  182. data/test/vaspdir/lock-PI/INCAR +28 -0
  183. data/test/vaspdir/lock-PI/KPOINTS +5 -0
  184. data/test/vaspdir/lock-PI/PI12345 +0 -0
  185. data/test/vaspdir/lock-PI/POSCAR +57 -0
  186. data/test/vaspdir/lock-PI/POTCAR +698 -0
  187. data/test/vaspdir/lock-PI/lock +0 -0
  188. data/test/vaspdir/next-try00/CONTCAR +17 -0
  189. data/test/vaspdir/next-try00/INCAR +28 -0
  190. data/test/vaspdir/next-try00/KPOINTS +6 -0
  191. data/test/vaspdir/next-try00/OUTCAR +2025 -0
  192. data/test/vaspdir/next-try00/POSCAR +12 -0
  193. data/test/vaspdir/next-try00/POTCAR +3151 -0
  194. data/test/vaspdir/next-try00/lock +0 -0
  195. data/test/vaspdir/not-yet-ISIF2/INCAR +28 -0
  196. data/test/vaspdir/not-yet-ISIF2/KPOINTS +5 -0
  197. data/test/vaspdir/not-yet-ISIF2/PI17489 +2 -0
  198. data/test/vaspdir/not-yet-ISIF2/PI17736 +2 -0
  199. data/test/vaspdir/not-yet-ISIF2/PI1858 +2 -0
  200. data/test/vaspdir/not-yet-ISIF2/PI1866 +2 -0
  201. data/test/vaspdir/not-yet-ISIF2/PI2059 +2 -0
  202. data/test/vaspdir/not-yet-ISIF2/POSCAR +57 -0
  203. data/test/vaspdir/not-yet-ISIF2/POTCAR +698 -0
  204. data/test/vaspdir/not-yet-ISIF3/INCAR +28 -0
  205. data/test/vaspdir/not-yet-ISIF3/KPOINTS +5 -0
  206. data/test/vaspdir/not-yet-ISIF3/POSCAR +57 -0
  207. data/test/vaspdir/not-yet-ISIF3/POTCAR +698 -0
  208. data/vasputils.gemspec +272 -0
  209. metadata +409 -0
data/vasputils.gemspec ADDED
@@ -0,0 +1,272 @@
1
+ # Generated by jeweler
2
+ # DO NOT EDIT THIS FILE DIRECTLY
3
+ # Instead, edit Jeweler::Tasks in Rakefile, and run 'rake gemspec'
4
+ # -*- encoding: utf-8 -*-
5
+
6
+ Gem::Specification.new do |s|
7
+ s.name = "vasputils"
8
+ s.version = "0.0.0"
9
+
10
+ s.required_rubygems_version = Gem::Requirement.new(">= 0") if s.respond_to? :required_rubygems_version=
11
+ s.authors = ["ippei94da"]
12
+ s.date = "2012-04-04"
13
+ s.description = "This gem provides parsers for some VASP input and output files.\n This will provide support command for computations."
14
+ s.email = "ippei94da@gmail.com"
15
+ s.executables = ["addVolumeToten.rb", "latticeconstants", "lsvaspdir", "lsvaspseries", "repeatvasp", "symposcar"]
16
+ s.extra_rdoc_files = [
17
+ "LICENSE.txt",
18
+ "README.rdoc"
19
+ ]
20
+ s.files = [
21
+ ".document",
22
+ "Gemfile",
23
+ "LICENSE.txt",
24
+ "README.rdoc",
25
+ "Rakefile",
26
+ "VERSION",
27
+ "bin/addVolumeToten.rb",
28
+ "bin/latticeconstants",
29
+ "bin/lsvaspdir",
30
+ "bin/lsvaspseries",
31
+ "bin/repeatvasp",
32
+ "bin/symposcar",
33
+ "lib/vasputils.rb",
34
+ "lib/vasputils/calcinspector.rb",
35
+ "lib/vasputils/calcrepeater.rb",
36
+ "lib/vasputils/calcseries.rb",
37
+ "lib/vasputils/incar.rb",
38
+ "lib/vasputils/kpoints.rb",
39
+ "lib/vasputils/outcar.rb",
40
+ "lib/vasputils/poscar.rb",
41
+ "lib/vasputils/potcar.rb",
42
+ "lib/vasputils/vaspdir.rb",
43
+ "test/calcseries/dup_finished/try00/CONTCAR",
44
+ "test/calcseries/dup_finished/try00/INCAR",
45
+ "test/calcseries/dup_finished/try00/KPOINTS",
46
+ "test/calcseries/dup_finished/try00/OUTCAR",
47
+ "test/calcseries/dup_finished/try00/POSCAR",
48
+ "test/calcseries/dup_finished/try00/POTCAR",
49
+ "test/calcseries/dup_finished/try00/lock",
50
+ "test/calcseries/dup_finished/try01/CONTCAR",
51
+ "test/calcseries/dup_finished/try01/INCAR",
52
+ "test/calcseries/dup_finished/try01/KPOINTS",
53
+ "test/calcseries/dup_finished/try01/OUTCAR",
54
+ "test/calcseries/dup_finished/try01/POSCAR",
55
+ "test/calcseries/dup_finished/try01/POTCAR",
56
+ "test/calcseries/dup_finished/try01/lock",
57
+ "test/calcseries/normal_finished/try00/CONTCAR",
58
+ "test/calcseries/normal_finished/try00/INCAR",
59
+ "test/calcseries/normal_finished/try00/KPOINTS",
60
+ "test/calcseries/normal_finished/try00/OUTCAR",
61
+ "test/calcseries/normal_finished/try00/POSCAR",
62
+ "test/calcseries/normal_finished/try00/POTCAR",
63
+ "test/calcseries/normal_finished/try00/lock",
64
+ "test/calcseries/normal_finished/try01/CONTCAR",
65
+ "test/calcseries/normal_finished/try01/INCAR",
66
+ "test/calcseries/normal_finished/try01/KPOINTS",
67
+ "test/calcseries/normal_finished/try01/OUTCAR",
68
+ "test/calcseries/normal_finished/try01/POSCAR",
69
+ "test/calcseries/normal_finished/try01/POTCAR",
70
+ "test/calcseries/normal_finished/try01/lock",
71
+ "test/calcseries/not_finished/try00/CONTCAR",
72
+ "test/calcseries/not_finished/try00/INCAR",
73
+ "test/calcseries/not_finished/try00/KPOINTS",
74
+ "test/calcseries/not_finished/try00/OUTCAR",
75
+ "test/calcseries/not_finished/try00/POSCAR",
76
+ "test/calcseries/not_finished/try00/POTCAR",
77
+ "test/calcseries/not_finished/try00/lock",
78
+ "test/helper.rb",
79
+ "test/incar/INCAR.00",
80
+ "test/incar/INCAR.01",
81
+ "test/kpoints/g123-456",
82
+ "test/kpoints/m123-456",
83
+ "test/outcar/01-03-INT.OUTCAR",
84
+ "test/outcar/01-13-FIN.OUTCAR",
85
+ "test/outcar/02-05-FIN.OUTCAR",
86
+ "test/outcar/03-05-FIN.OUTCAR",
87
+ "test/outcar/10-01-FIN.OUTCAR",
88
+ "test/poscar/NOT_POSCAR",
89
+ "test/poscar/POSCAR.00",
90
+ "test/poscar/POSCAR.01",
91
+ "test/poscarparser/POSCAR.00",
92
+ "test/poscarparser/POSCAR.01",
93
+ "test/potcar/POTCAR",
94
+ "test/potcar/POTCAR.allElement",
95
+ "test/potcar/POTCAR.dummy",
96
+ "test/repeatVasp/Iter2-Nsw2.00/INCAR",
97
+ "test/repeatVasp/Iter2-Nsw2.00/KPOINTS",
98
+ "test/repeatVasp/Iter2-Nsw2.00/POSCAR",
99
+ "test/repeatVasp/Iter2-Nsw2.00/POTCAR",
100
+ "test/repeatVasp/test.sh",
101
+ "test/test_calcinspector.rb",
102
+ "test/test_calcrepeater.rb",
103
+ "test/test_calcseries.rb",
104
+ "test/test_incar.rb",
105
+ "test/test_kpoints.rb",
106
+ "test/test_outcar.rb",
107
+ "test/test_poscar.rb",
108
+ "test/test_potcar.rb",
109
+ "test/test_vaspdir.rb",
110
+ "test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/CONTCAR",
111
+ "test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/INCAR",
112
+ "test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/KPOINTS",
113
+ "test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/OUTCAR",
114
+ "test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/POSCAR",
115
+ "test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/POTCAR",
116
+ "test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/lock",
117
+ "test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/CONTCAR",
118
+ "test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/INCAR",
119
+ "test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/KPOINTS",
120
+ "test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/OUTCAR",
121
+ "test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/POSCAR",
122
+ "test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/POTCAR",
123
+ "test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/lock",
124
+ "test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/CONTCAR",
125
+ "test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/INCAR",
126
+ "test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/KPOINTS",
127
+ "test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/OUTCAR",
128
+ "test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/POSCAR",
129
+ "test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/POTCAR",
130
+ "test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/lock",
131
+ "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/CONTCAR",
132
+ "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/INCAR",
133
+ "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/KPOINTS",
134
+ "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/OUTCAR",
135
+ "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/POSCAR",
136
+ "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/POTCAR",
137
+ "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/lock",
138
+ "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/CONTCAR",
139
+ "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/INCAR",
140
+ "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/KPOINTS",
141
+ "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/OUTCAR",
142
+ "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/POSCAR",
143
+ "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/POTCAR",
144
+ "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/lock",
145
+ "test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/CONTCAR",
146
+ "test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/INCAR",
147
+ "test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/KPOINTS",
148
+ "test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/OUTCAR",
149
+ "test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/POSCAR",
150
+ "test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/POTCAR",
151
+ "test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/lock",
152
+ "test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/CONTCAR",
153
+ "test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/INCAR",
154
+ "test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/KPOINTS",
155
+ "test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/OUTCAR",
156
+ "test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/POSCAR",
157
+ "test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/POTCAR",
158
+ "test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/lock",
159
+ "test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/CONTCAR",
160
+ "test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/INCAR",
161
+ "test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/KPOINTS",
162
+ "test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/OUTCAR",
163
+ "test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/POSCAR",
164
+ "test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/POTCAR",
165
+ "test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/lock",
166
+ "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/CONTCAR",
167
+ "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/INCAR",
168
+ "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/KPOINTS",
169
+ "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/OUTCAR",
170
+ "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/POSCAR",
171
+ "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/POTCAR",
172
+ "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/lock",
173
+ "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/CONTCAR",
174
+ "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/INCAR",
175
+ "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/KPOINTS",
176
+ "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/OUTCAR",
177
+ "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/POSCAR",
178
+ "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/POTCAR",
179
+ "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/lock",
180
+ "test/vaspdir/PI/INCAR",
181
+ "test/vaspdir/PI/KPOINTS",
182
+ "test/vaspdir/PI/PI12345",
183
+ "test/vaspdir/PI/POSCAR",
184
+ "test/vaspdir/PI/POTCAR",
185
+ "test/vaspdir/lack-INCAR/KPOINTS",
186
+ "test/vaspdir/lack-INCAR/POSCAR",
187
+ "test/vaspdir/lack-INCAR/POTCAR",
188
+ "test/vaspdir/lack-KPOINTS/INCAR",
189
+ "test/vaspdir/lack-KPOINTS/POSCAR",
190
+ "test/vaspdir/lack-KPOINTS/POTCAR",
191
+ "test/vaspdir/lack-POSCAR/INCAR",
192
+ "test/vaspdir/lack-POSCAR/KPOINTS",
193
+ "test/vaspdir/lack-POSCAR/POTCAR",
194
+ "test/vaspdir/lack-POTCAR/INCAR",
195
+ "test/vaspdir/lack-POTCAR/KPOINTS",
196
+ "test/vaspdir/lack-POTCAR/POSCAR",
197
+ "test/vaspdir/lock-PI/INCAR",
198
+ "test/vaspdir/lock-PI/KPOINTS",
199
+ "test/vaspdir/lock-PI/PI12345",
200
+ "test/vaspdir/lock-PI/POSCAR",
201
+ "test/vaspdir/lock-PI/POTCAR",
202
+ "test/vaspdir/lock-PI/lock",
203
+ "test/vaspdir/lock/INCAR",
204
+ "test/vaspdir/lock/KPOINTS",
205
+ "test/vaspdir/lock/POSCAR",
206
+ "test/vaspdir/lock/POTCAR",
207
+ "test/vaspdir/lock/lock",
208
+ "test/vaspdir/next-try00/CONTCAR",
209
+ "test/vaspdir/next-try00/INCAR",
210
+ "test/vaspdir/next-try00/KPOINTS",
211
+ "test/vaspdir/next-try00/OUTCAR",
212
+ "test/vaspdir/next-try00/POSCAR",
213
+ "test/vaspdir/next-try00/POTCAR",
214
+ "test/vaspdir/next-try00/lock",
215
+ "test/vaspdir/not-yet-ISIF2/INCAR",
216
+ "test/vaspdir/not-yet-ISIF2/KPOINTS",
217
+ "test/vaspdir/not-yet-ISIF2/PI17489",
218
+ "test/vaspdir/not-yet-ISIF2/PI17736",
219
+ "test/vaspdir/not-yet-ISIF2/PI1858",
220
+ "test/vaspdir/not-yet-ISIF2/PI1866",
221
+ "test/vaspdir/not-yet-ISIF2/PI2059",
222
+ "test/vaspdir/not-yet-ISIF2/POSCAR",
223
+ "test/vaspdir/not-yet-ISIF2/POTCAR",
224
+ "test/vaspdir/not-yet-ISIF3/INCAR",
225
+ "test/vaspdir/not-yet-ISIF3/KPOINTS",
226
+ "test/vaspdir/not-yet-ISIF3/POSCAR",
227
+ "test/vaspdir/not-yet-ISIF3/POTCAR",
228
+ "vasputils.gemspec"
229
+ ]
230
+ s.homepage = "http://github.com/ippei94da/vasputils"
231
+ s.licenses = ["MIT"]
232
+ s.require_paths = ["lib"]
233
+ s.rubygems_version = "1.8.21"
234
+ s.summary = "Utilities for VASP, first-principles calculation code."
235
+
236
+ if s.respond_to? :specification_version then
237
+ s.specification_version = 3
238
+
239
+ if Gem::Version.new(Gem::VERSION) >= Gem::Version.new('1.2.0') then
240
+ s.add_development_dependency(%q<rdoc>, ["~> 3.12"])
241
+ s.add_development_dependency(%q<bundler>, ["~> 1.1.3"])
242
+ s.add_development_dependency(%q<jeweler>, ["~> 1.8.3"])
243
+ s.add_development_dependency(%q<simplecov>, [">= 0"])
244
+ s.add_development_dependency(%q<crystalcell>, [">= 0.0.0"])
245
+ s.add_development_dependency(%q<mageo>, [">= 0.0.0"])
246
+ s.add_development_dependency(%q<malge>, [">= 0.0.1"])
247
+ s.add_development_dependency(%q<maset>, [">= 0.0.0"])
248
+ s.add_development_dependency(%q<builtinextension>, [">= 0.0.3"])
249
+ else
250
+ s.add_dependency(%q<rdoc>, ["~> 3.12"])
251
+ s.add_dependency(%q<bundler>, ["~> 1.1.3"])
252
+ s.add_dependency(%q<jeweler>, ["~> 1.8.3"])
253
+ s.add_dependency(%q<simplecov>, [">= 0"])
254
+ s.add_dependency(%q<crystalcell>, [">= 0.0.0"])
255
+ s.add_dependency(%q<mageo>, [">= 0.0.0"])
256
+ s.add_dependency(%q<malge>, [">= 0.0.1"])
257
+ s.add_dependency(%q<maset>, [">= 0.0.0"])
258
+ s.add_dependency(%q<builtinextension>, [">= 0.0.3"])
259
+ end
260
+ else
261
+ s.add_dependency(%q<rdoc>, ["~> 3.12"])
262
+ s.add_dependency(%q<bundler>, ["~> 1.1.3"])
263
+ s.add_dependency(%q<jeweler>, ["~> 1.8.3"])
264
+ s.add_dependency(%q<simplecov>, [">= 0"])
265
+ s.add_dependency(%q<crystalcell>, [">= 0.0.0"])
266
+ s.add_dependency(%q<mageo>, [">= 0.0.0"])
267
+ s.add_dependency(%q<malge>, [">= 0.0.1"])
268
+ s.add_dependency(%q<maset>, [">= 0.0.0"])
269
+ s.add_dependency(%q<builtinextension>, [">= 0.0.3"])
270
+ end
271
+ end
272
+
metadata ADDED
@@ -0,0 +1,409 @@
1
+ --- !ruby/object:Gem::Specification
2
+ name: vasputils
3
+ version: !ruby/object:Gem::Version
4
+ version: 0.0.0
5
+ prerelease:
6
+ platform: ruby
7
+ authors:
8
+ - ippei94da
9
+ autorequire:
10
+ bindir: bin
11
+ cert_chain: []
12
+ date: 2012-04-04 00:00:00.000000000 Z
13
+ dependencies:
14
+ - !ruby/object:Gem::Dependency
15
+ name: rdoc
16
+ requirement: !ruby/object:Gem::Requirement
17
+ none: false
18
+ requirements:
19
+ - - ~>
20
+ - !ruby/object:Gem::Version
21
+ version: '3.12'
22
+ type: :development
23
+ prerelease: false
24
+ version_requirements: !ruby/object:Gem::Requirement
25
+ none: false
26
+ requirements:
27
+ - - ~>
28
+ - !ruby/object:Gem::Version
29
+ version: '3.12'
30
+ - !ruby/object:Gem::Dependency
31
+ name: bundler
32
+ requirement: !ruby/object:Gem::Requirement
33
+ none: false
34
+ requirements:
35
+ - - ~>
36
+ - !ruby/object:Gem::Version
37
+ version: 1.1.3
38
+ type: :development
39
+ prerelease: false
40
+ version_requirements: !ruby/object:Gem::Requirement
41
+ none: false
42
+ requirements:
43
+ - - ~>
44
+ - !ruby/object:Gem::Version
45
+ version: 1.1.3
46
+ - !ruby/object:Gem::Dependency
47
+ name: jeweler
48
+ requirement: !ruby/object:Gem::Requirement
49
+ none: false
50
+ requirements:
51
+ - - ~>
52
+ - !ruby/object:Gem::Version
53
+ version: 1.8.3
54
+ type: :development
55
+ prerelease: false
56
+ version_requirements: !ruby/object:Gem::Requirement
57
+ none: false
58
+ requirements:
59
+ - - ~>
60
+ - !ruby/object:Gem::Version
61
+ version: 1.8.3
62
+ - !ruby/object:Gem::Dependency
63
+ name: simplecov
64
+ requirement: !ruby/object:Gem::Requirement
65
+ none: false
66
+ requirements:
67
+ - - ! '>='
68
+ - !ruby/object:Gem::Version
69
+ version: '0'
70
+ type: :development
71
+ prerelease: false
72
+ version_requirements: !ruby/object:Gem::Requirement
73
+ none: false
74
+ requirements:
75
+ - - ! '>='
76
+ - !ruby/object:Gem::Version
77
+ version: '0'
78
+ - !ruby/object:Gem::Dependency
79
+ name: crystalcell
80
+ requirement: !ruby/object:Gem::Requirement
81
+ none: false
82
+ requirements:
83
+ - - ! '>='
84
+ - !ruby/object:Gem::Version
85
+ version: 0.0.0
86
+ type: :development
87
+ prerelease: false
88
+ version_requirements: !ruby/object:Gem::Requirement
89
+ none: false
90
+ requirements:
91
+ - - ! '>='
92
+ - !ruby/object:Gem::Version
93
+ version: 0.0.0
94
+ - !ruby/object:Gem::Dependency
95
+ name: mageo
96
+ requirement: !ruby/object:Gem::Requirement
97
+ none: false
98
+ requirements:
99
+ - - ! '>='
100
+ - !ruby/object:Gem::Version
101
+ version: 0.0.0
102
+ type: :development
103
+ prerelease: false
104
+ version_requirements: !ruby/object:Gem::Requirement
105
+ none: false
106
+ requirements:
107
+ - - ! '>='
108
+ - !ruby/object:Gem::Version
109
+ version: 0.0.0
110
+ - !ruby/object:Gem::Dependency
111
+ name: malge
112
+ requirement: !ruby/object:Gem::Requirement
113
+ none: false
114
+ requirements:
115
+ - - ! '>='
116
+ - !ruby/object:Gem::Version
117
+ version: 0.0.1
118
+ type: :development
119
+ prerelease: false
120
+ version_requirements: !ruby/object:Gem::Requirement
121
+ none: false
122
+ requirements:
123
+ - - ! '>='
124
+ - !ruby/object:Gem::Version
125
+ version: 0.0.1
126
+ - !ruby/object:Gem::Dependency
127
+ name: maset
128
+ requirement: !ruby/object:Gem::Requirement
129
+ none: false
130
+ requirements:
131
+ - - ! '>='
132
+ - !ruby/object:Gem::Version
133
+ version: 0.0.0
134
+ type: :development
135
+ prerelease: false
136
+ version_requirements: !ruby/object:Gem::Requirement
137
+ none: false
138
+ requirements:
139
+ - - ! '>='
140
+ - !ruby/object:Gem::Version
141
+ version: 0.0.0
142
+ - !ruby/object:Gem::Dependency
143
+ name: builtinextension
144
+ requirement: !ruby/object:Gem::Requirement
145
+ none: false
146
+ requirements:
147
+ - - ! '>='
148
+ - !ruby/object:Gem::Version
149
+ version: 0.0.3
150
+ type: :development
151
+ prerelease: false
152
+ version_requirements: !ruby/object:Gem::Requirement
153
+ none: false
154
+ requirements:
155
+ - - ! '>='
156
+ - !ruby/object:Gem::Version
157
+ version: 0.0.3
158
+ description: ! "This gem provides parsers for some VASP input and output files.\n
159
+ \ This will provide support command for computations."
160
+ email: ippei94da@gmail.com
161
+ executables:
162
+ - addVolumeToten.rb
163
+ - latticeconstants
164
+ - lsvaspdir
165
+ - lsvaspseries
166
+ - repeatvasp
167
+ - symposcar
168
+ extensions: []
169
+ extra_rdoc_files:
170
+ - LICENSE.txt
171
+ - README.rdoc
172
+ files:
173
+ - .document
174
+ - Gemfile
175
+ - LICENSE.txt
176
+ - README.rdoc
177
+ - Rakefile
178
+ - VERSION
179
+ - bin/addVolumeToten.rb
180
+ - bin/latticeconstants
181
+ - bin/lsvaspdir
182
+ - bin/lsvaspseries
183
+ - bin/repeatvasp
184
+ - bin/symposcar
185
+ - lib/vasputils.rb
186
+ - lib/vasputils/calcinspector.rb
187
+ - lib/vasputils/calcrepeater.rb
188
+ - lib/vasputils/calcseries.rb
189
+ - lib/vasputils/incar.rb
190
+ - lib/vasputils/kpoints.rb
191
+ - lib/vasputils/outcar.rb
192
+ - lib/vasputils/poscar.rb
193
+ - lib/vasputils/potcar.rb
194
+ - lib/vasputils/vaspdir.rb
195
+ - test/calcseries/dup_finished/try00/CONTCAR
196
+ - test/calcseries/dup_finished/try00/INCAR
197
+ - test/calcseries/dup_finished/try00/KPOINTS
198
+ - test/calcseries/dup_finished/try00/OUTCAR
199
+ - test/calcseries/dup_finished/try00/POSCAR
200
+ - test/calcseries/dup_finished/try00/POTCAR
201
+ - test/calcseries/dup_finished/try00/lock
202
+ - test/calcseries/dup_finished/try01/CONTCAR
203
+ - test/calcseries/dup_finished/try01/INCAR
204
+ - test/calcseries/dup_finished/try01/KPOINTS
205
+ - test/calcseries/dup_finished/try01/OUTCAR
206
+ - test/calcseries/dup_finished/try01/POSCAR
207
+ - test/calcseries/dup_finished/try01/POTCAR
208
+ - test/calcseries/dup_finished/try01/lock
209
+ - test/calcseries/normal_finished/try00/CONTCAR
210
+ - test/calcseries/normal_finished/try00/INCAR
211
+ - test/calcseries/normal_finished/try00/KPOINTS
212
+ - test/calcseries/normal_finished/try00/OUTCAR
213
+ - test/calcseries/normal_finished/try00/POSCAR
214
+ - test/calcseries/normal_finished/try00/POTCAR
215
+ - test/calcseries/normal_finished/try00/lock
216
+ - test/calcseries/normal_finished/try01/CONTCAR
217
+ - test/calcseries/normal_finished/try01/INCAR
218
+ - test/calcseries/normal_finished/try01/KPOINTS
219
+ - test/calcseries/normal_finished/try01/OUTCAR
220
+ - test/calcseries/normal_finished/try01/POSCAR
221
+ - test/calcseries/normal_finished/try01/POTCAR
222
+ - test/calcseries/normal_finished/try01/lock
223
+ - test/calcseries/not_finished/try00/CONTCAR
224
+ - test/calcseries/not_finished/try00/INCAR
225
+ - test/calcseries/not_finished/try00/KPOINTS
226
+ - test/calcseries/not_finished/try00/OUTCAR
227
+ - test/calcseries/not_finished/try00/POSCAR
228
+ - test/calcseries/not_finished/try00/POTCAR
229
+ - test/calcseries/not_finished/try00/lock
230
+ - test/helper.rb
231
+ - test/incar/INCAR.00
232
+ - test/incar/INCAR.01
233
+ - test/kpoints/g123-456
234
+ - test/kpoints/m123-456
235
+ - test/outcar/01-03-INT.OUTCAR
236
+ - test/outcar/01-13-FIN.OUTCAR
237
+ - test/outcar/02-05-FIN.OUTCAR
238
+ - test/outcar/03-05-FIN.OUTCAR
239
+ - test/outcar/10-01-FIN.OUTCAR
240
+ - test/poscar/NOT_POSCAR
241
+ - test/poscar/POSCAR.00
242
+ - test/poscar/POSCAR.01
243
+ - test/poscarparser/POSCAR.00
244
+ - test/poscarparser/POSCAR.01
245
+ - test/potcar/POTCAR
246
+ - test/potcar/POTCAR.allElement
247
+ - test/potcar/POTCAR.dummy
248
+ - test/repeatVasp/Iter2-Nsw2.00/INCAR
249
+ - test/repeatVasp/Iter2-Nsw2.00/KPOINTS
250
+ - test/repeatVasp/Iter2-Nsw2.00/POSCAR
251
+ - test/repeatVasp/Iter2-Nsw2.00/POTCAR
252
+ - test/repeatVasp/test.sh
253
+ - test/test_calcinspector.rb
254
+ - test/test_calcrepeater.rb
255
+ - test/test_calcseries.rb
256
+ - test/test_incar.rb
257
+ - test/test_kpoints.rb
258
+ - test/test_outcar.rb
259
+ - test/test_poscar.rb
260
+ - test/test_potcar.rb
261
+ - test/test_vaspdir.rb
262
+ - test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/CONTCAR
263
+ - test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/INCAR
264
+ - test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/KPOINTS
265
+ - test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/OUTCAR
266
+ - test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/POSCAR
267
+ - test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/POTCAR
268
+ - test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/lock
269
+ - test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/CONTCAR
270
+ - test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/INCAR
271
+ - test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/KPOINTS
272
+ - test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/OUTCAR
273
+ - test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/POSCAR
274
+ - test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/POTCAR
275
+ - test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/lock
276
+ - test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/CONTCAR
277
+ - test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/INCAR
278
+ - test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/KPOINTS
279
+ - test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/OUTCAR
280
+ - test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/POSCAR
281
+ - test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/POTCAR
282
+ - test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/lock
283
+ - test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/CONTCAR
284
+ - test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/INCAR
285
+ - test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/KPOINTS
286
+ - test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/OUTCAR
287
+ - test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/POSCAR
288
+ - test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/POTCAR
289
+ - test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/lock
290
+ - test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/CONTCAR
291
+ - test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/INCAR
292
+ - test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/KPOINTS
293
+ - test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/OUTCAR
294
+ - test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/POSCAR
295
+ - test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/POTCAR
296
+ - test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/lock
297
+ - test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/CONTCAR
298
+ - test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/INCAR
299
+ - test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/KPOINTS
300
+ - test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/OUTCAR
301
+ - test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/POSCAR
302
+ - test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/POTCAR
303
+ - test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/lock
304
+ - test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/CONTCAR
305
+ - test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/INCAR
306
+ - test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/KPOINTS
307
+ - test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/OUTCAR
308
+ - test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/POSCAR
309
+ - test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/POTCAR
310
+ - test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/lock
311
+ - test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/CONTCAR
312
+ - test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/INCAR
313
+ - test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/KPOINTS
314
+ - test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/OUTCAR
315
+ - test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/POSCAR
316
+ - test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/POTCAR
317
+ - test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/lock
318
+ - test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/CONTCAR
319
+ - test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/INCAR
320
+ - test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/KPOINTS
321
+ - test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/OUTCAR
322
+ - test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/POSCAR
323
+ - test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/POTCAR
324
+ - test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/lock
325
+ - test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/CONTCAR
326
+ - test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/INCAR
327
+ - test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/KPOINTS
328
+ - test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/OUTCAR
329
+ - test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/POSCAR
330
+ - test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/POTCAR
331
+ - test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/lock
332
+ - test/vaspdir/PI/INCAR
333
+ - test/vaspdir/PI/KPOINTS
334
+ - test/vaspdir/PI/PI12345
335
+ - test/vaspdir/PI/POSCAR
336
+ - test/vaspdir/PI/POTCAR
337
+ - test/vaspdir/lack-INCAR/KPOINTS
338
+ - test/vaspdir/lack-INCAR/POSCAR
339
+ - test/vaspdir/lack-INCAR/POTCAR
340
+ - test/vaspdir/lack-KPOINTS/INCAR
341
+ - test/vaspdir/lack-KPOINTS/POSCAR
342
+ - test/vaspdir/lack-KPOINTS/POTCAR
343
+ - test/vaspdir/lack-POSCAR/INCAR
344
+ - test/vaspdir/lack-POSCAR/KPOINTS
345
+ - test/vaspdir/lack-POSCAR/POTCAR
346
+ - test/vaspdir/lack-POTCAR/INCAR
347
+ - test/vaspdir/lack-POTCAR/KPOINTS
348
+ - test/vaspdir/lack-POTCAR/POSCAR
349
+ - test/vaspdir/lock-PI/INCAR
350
+ - test/vaspdir/lock-PI/KPOINTS
351
+ - test/vaspdir/lock-PI/PI12345
352
+ - test/vaspdir/lock-PI/POSCAR
353
+ - test/vaspdir/lock-PI/POTCAR
354
+ - test/vaspdir/lock-PI/lock
355
+ - test/vaspdir/lock/INCAR
356
+ - test/vaspdir/lock/KPOINTS
357
+ - test/vaspdir/lock/POSCAR
358
+ - test/vaspdir/lock/POTCAR
359
+ - test/vaspdir/lock/lock
360
+ - test/vaspdir/next-try00/CONTCAR
361
+ - test/vaspdir/next-try00/INCAR
362
+ - test/vaspdir/next-try00/KPOINTS
363
+ - test/vaspdir/next-try00/OUTCAR
364
+ - test/vaspdir/next-try00/POSCAR
365
+ - test/vaspdir/next-try00/POTCAR
366
+ - test/vaspdir/next-try00/lock
367
+ - test/vaspdir/not-yet-ISIF2/INCAR
368
+ - test/vaspdir/not-yet-ISIF2/KPOINTS
369
+ - test/vaspdir/not-yet-ISIF2/PI17489
370
+ - test/vaspdir/not-yet-ISIF2/PI17736
371
+ - test/vaspdir/not-yet-ISIF2/PI1858
372
+ - test/vaspdir/not-yet-ISIF2/PI1866
373
+ - test/vaspdir/not-yet-ISIF2/PI2059
374
+ - test/vaspdir/not-yet-ISIF2/POSCAR
375
+ - test/vaspdir/not-yet-ISIF2/POTCAR
376
+ - test/vaspdir/not-yet-ISIF3/INCAR
377
+ - test/vaspdir/not-yet-ISIF3/KPOINTS
378
+ - test/vaspdir/not-yet-ISIF3/POSCAR
379
+ - test/vaspdir/not-yet-ISIF3/POTCAR
380
+ - vasputils.gemspec
381
+ homepage: http://github.com/ippei94da/vasputils
382
+ licenses:
383
+ - MIT
384
+ post_install_message:
385
+ rdoc_options: []
386
+ require_paths:
387
+ - lib
388
+ required_ruby_version: !ruby/object:Gem::Requirement
389
+ none: false
390
+ requirements:
391
+ - - ! '>='
392
+ - !ruby/object:Gem::Version
393
+ version: '0'
394
+ segments:
395
+ - 0
396
+ hash: -646396931
397
+ required_rubygems_version: !ruby/object:Gem::Requirement
398
+ none: false
399
+ requirements:
400
+ - - ! '>='
401
+ - !ruby/object:Gem::Version
402
+ version: '0'
403
+ requirements: []
404
+ rubyforge_project:
405
+ rubygems_version: 1.8.21
406
+ signing_key:
407
+ specification_version: 3
408
+ summary: Utilities for VASP, first-principles calculation code.
409
+ test_files: []