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Remove void from argument lists

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robertodr committed Sep 27, 2018
1 parent ba98fb7 commit 7e5e4a0556ea73a90c5b7b9b0682cfbfee7fbf15
Showing with 597 additions and 597 deletions.
  1. +1 −1 psi4/src/psi4/cc/ccdensity/G.cc
  2. +1 −1 psi4/src/psi4/cc/ccdensity/G_norm.cc
  3. +1 −1 psi4/src/psi4/cc/ccdensity/Gabcd.cc
  4. +1 −1 psi4/src/psi4/cc/ccdensity/Gciab.cc
  5. +1 −1 psi4/src/psi4/cc/ccdensity/Gibja.cc
  6. +4 −4 psi4/src/psi4/cc/ccdensity/Gijab.cc
  7. +1 −1 psi4/src/psi4/cc/ccdensity/Gijab_RHF.cc
  8. +1 −1 psi4/src/psi4/cc/ccdensity/Gijab_ROHF.cc
  9. +1 −1 psi4/src/psi4/cc/ccdensity/Gijab_UHF.cc
  10. +1 −1 psi4/src/psi4/cc/ccdensity/Gijka.cc
  11. +1 −1 psi4/src/psi4/cc/ccdensity/Gijkl.cc
  12. +1 −1 psi4/src/psi4/cc/ccdensity/V.cc
  13. +1 −1 psi4/src/psi4/cc/ccdensity/V_cc2.cc
  14. +4 −4 psi4/src/psi4/cc/ccdensity/build_A.cc
  15. +1 −1 psi4/src/psi4/cc/ccdensity/build_A_RHF.cc
  16. +1 −1 psi4/src/psi4/cc/ccdensity/build_A_ROHF.cc
  17. +1 −1 psi4/src/psi4/cc/ccdensity/build_A_UHF.cc
  18. +1 −1 psi4/src/psi4/cc/ccdensity/build_X.cc
  19. +4 −4 psi4/src/psi4/cc/ccdensity/build_Z.cc
  20. +1 −1 psi4/src/psi4/cc/ccdensity/build_Z_RHF.cc
  21. +1 −1 psi4/src/psi4/cc/ccdensity/build_Z_ROHF.cc
  22. +1 −1 psi4/src/psi4/cc/ccdensity/build_Z_UHF.cc
  23. +38 −38 psi4/src/psi4/cc/ccdensity/ccdensity.cc
  24. +1 −1 psi4/src/psi4/cc/ccdensity/distribute.cc
  25. +1 −1 psi4/src/psi4/cc/ccdensity/ex_td_cleanup.cc
  26. +1 −1 psi4/src/psi4/cc/ccdensity/get_frozen.cc
  27. +1 −1 psi4/src/psi4/cc/ccdensity/get_moinfo.cc
  28. +4 −4 psi4/src/psi4/cc/ccdensity/relax_I.cc
  29. +1 −1 psi4/src/psi4/cc/ccdensity/relax_I_RHF.cc
  30. +1 −1 psi4/src/psi4/cc/ccdensity/relax_I_ROHF.cc
  31. +1 −1 psi4/src/psi4/cc/ccdensity/relax_I_UHF.cc
  32. +1 −1 psi4/src/psi4/cc/ccdensity/resort_gamma.cc
  33. +2 −2 psi4/src/psi4/cc/ccdensity/resort_tei.cc
  34. +4 −4 psi4/src/psi4/cc/ccdensity/sortI.cc
  35. +1 −1 psi4/src/psi4/cc/ccdensity/sortI_RHF.cc
  36. +1 −1 psi4/src/psi4/cc/ccdensity/sortI_ROHF.cc
  37. +1 −1 psi4/src/psi4/cc/ccdensity/sortI_UHF.cc
  38. +1 −1 psi4/src/psi4/cc/ccdensity/td_cleanup.cc
  39. +1 −1 psi4/src/psi4/cc/ccdensity/td_print.cc
  40. +8 −8 psi4/src/psi4/cc/ccdensity/twopdm.cc
  41. +1 −1 psi4/src/psi4/cc/ccdensity/x_Gabcd.cc
  42. +10 −10 psi4/src/psi4/cc/ccdensity/x_Gciab.cc
  43. +6 −6 psi4/src/psi4/cc/ccdensity/x_Gciab_uhf.cc
  44. +4 −4 psi4/src/psi4/cc/ccdensity/x_Gibja.cc
  45. +1 −1 psi4/src/psi4/cc/ccdensity/x_Gibja_uhf.cc
  46. +8 −8 psi4/src/psi4/cc/ccdensity/x_Gijab.cc
  47. +5 −5 psi4/src/psi4/cc/ccdensity/x_Gijab_uhf.cc
  48. +10 −10 psi4/src/psi4/cc/ccdensity/x_Gijka.cc
  49. +7 −7 psi4/src/psi4/cc/ccdensity/x_Gijka_uhf.cc
  50. +1 −1 psi4/src/psi4/cc/ccdensity/x_Gijkl.cc
  51. +1 −1 psi4/src/psi4/cc/ccdensity/x_V.cc
  52. +1 −1 psi4/src/psi4/cc/ccdensity/x_te_intermediates.cc
  53. +1 −1 psi4/src/psi4/cc/ccdensity/x_te_intermediates_rhf.cc
  54. +7 −7 psi4/src/psi4/cc/ccdensity/x_xi1.cc
  55. +1 −1 psi4/src/psi4/cc/ccdensity/x_xi1_connected.cc
  56. +2 −2 psi4/src/psi4/cc/ccdensity/x_xi1_rhf.cc
  57. +2 −2 psi4/src/psi4/cc/ccdensity/x_xi1_uhf.cc
  58. +9 −9 psi4/src/psi4/cc/ccdensity/x_xi2.cc
  59. +4 −4 psi4/src/psi4/cc/ccdensity/x_xi2_rhf.cc
  60. +4 −4 psi4/src/psi4/cc/ccdensity/x_xi2_uhf.cc
  61. +1 −1 psi4/src/psi4/cc/ccdensity/x_xi_intermediates.cc
  62. +1 −1 psi4/src/psi4/cc/ccdensity/zero_pdm.cc
  63. +1 −1 psi4/src/psi4/cc/ccenergy/BT2.cc
  64. +1 −1 psi4/src/psi4/cc/ccenergy/BT2_AO.cc
  65. +1 −1 psi4/src/psi4/cc/ccenergy/CT2.cc
  66. +1 −1 psi4/src/psi4/cc/ccenergy/DT2.cc
  67. +1 −1 psi4/src/psi4/cc/ccenergy/ET2.cc
  68. +1 −1 psi4/src/psi4/cc/ccenergy/FT2.cc
  69. +1 −1 psi4/src/psi4/cc/ccenergy/FT2_cc2.cc
  70. +1 −1 psi4/src/psi4/cc/ccenergy/Fae.cc
  71. +1 −1 psi4/src/psi4/cc/ccenergy/FaetT2.cc
  72. +1 −1 psi4/src/psi4/cc/ccenergy/Fme.cc
  73. +1 −1 psi4/src/psi4/cc/ccenergy/Fmi.cc
  74. +1 −1 psi4/src/psi4/cc/ccenergy/FmitT2.cc
  75. +1 −1 psi4/src/psi4/cc/ccenergy/Wmbej.cc
  76. +1 −1 psi4/src/psi4/cc/ccenergy/WmbejT2.cc
  77. +1 −1 psi4/src/psi4/cc/ccenergy/Wmnij.cc
  78. +1 −1 psi4/src/psi4/cc/ccenergy/WmnijT2.cc
  79. +1 −1 psi4/src/psi4/cc/ccenergy/Z.cc
  80. +1 −1 psi4/src/psi4/cc/ccenergy/ZT2.cc
  81. +1 −1 psi4/src/psi4/cc/ccenergy/amp_write.cc
  82. +1 −1 psi4/src/psi4/cc/ccenergy/analyze.cc
  83. +3 −3 psi4/src/psi4/cc/ccenergy/cc2_Wabei.cc
  84. +1 −1 psi4/src/psi4/cc/ccenergy/cc2_WabeiT2.cc
  85. +1 −1 psi4/src/psi4/cc/ccenergy/cc2_WabijT2.cc
  86. +3 −3 psi4/src/psi4/cc/ccenergy/cc2_Wmbij.cc
  87. +1 −1 psi4/src/psi4/cc/ccenergy/cc2_WmbijT2.cc
  88. +2 −2 psi4/src/psi4/cc/ccenergy/cc2_Wmnij.cc
  89. +1 −1 psi4/src/psi4/cc/ccenergy/cc2_faeT2.cc
  90. +1 −1 psi4/src/psi4/cc/ccenergy/cc2_fmiT2.cc
  91. +1 −1 psi4/src/psi4/cc/ccenergy/cc2_t2.cc
  92. +1 −1 psi4/src/psi4/cc/ccenergy/cc3.cc
  93. +3 −3 psi4/src/psi4/cc/ccenergy/cc3_Wabei.cc
  94. +3 −3 psi4/src/psi4/cc/ccenergy/cc3_Wamef.cc
  95. +3 −3 psi4/src/psi4/cc/ccenergy/cc3_Wmbij.cc
  96. +3 −3 psi4/src/psi4/cc/ccenergy/cc3_Wmnie.cc
  97. +3 −3 psi4/src/psi4/cc/ccenergy/cc3_Wmnij.cc
  98. +5 −5 psi4/src/psi4/cc/ccenergy/ccenergy.cc
  99. +2 −2 psi4/src/psi4/cc/ccenergy/d1diag.cc
  100. +2 −2 psi4/src/psi4/cc/ccenergy/d2diag.cc
  101. +2 −2 psi4/src/psi4/cc/ccenergy/denom.cc
  102. +1 −1 psi4/src/psi4/cc/ccenergy/diagnostic.cc
  103. +1 −1 psi4/src/psi4/cc/ccenergy/dijabT2.cc
  104. +4 −4 psi4/src/psi4/cc/ccenergy/energy.cc
  105. +2 −2 psi4/src/psi4/cc/ccenergy/get_moinfo.cc
  106. +1 −1 psi4/src/psi4/cc/ccenergy/init_amps.cc
  107. +1 −1 psi4/src/psi4/cc/ccenergy/lmp2.cc
  108. +2 −2 psi4/src/psi4/cc/ccenergy/local.cc
  109. +3 −3 psi4/src/psi4/cc/ccenergy/mp2_energy.cc
  110. +2 −2 psi4/src/psi4/cc/ccenergy/new_d1diag.cc
  111. +1 −1 psi4/src/psi4/cc/ccenergy/priority.cc
  112. +1 −1 psi4/src/psi4/cc/ccenergy/rotate.cc
  113. +1 −1 psi4/src/psi4/cc/ccenergy/sort_amps.cc
  114. +1 −1 psi4/src/psi4/cc/ccenergy/spinad_amps.cc
  115. +1 −1 psi4/src/psi4/cc/ccenergy/t1.cc
  116. +1 −1 psi4/src/psi4/cc/ccenergy/t1_ijab.cc
  117. +1 −1 psi4/src/psi4/cc/ccenergy/t2.cc
  118. +1 −1 psi4/src/psi4/cc/ccenergy/tau.cc
  119. +1 −1 psi4/src/psi4/cc/ccenergy/taut.cc
  120. +1 −1 psi4/src/psi4/cc/ccenergy/tsave.cc
  121. +1 −1 psi4/src/psi4/cc/ccenergy/update.cc
  122. +2 −2 psi4/src/psi4/cc/cceom/amp_write.cc
  123. +1 −1 psi4/src/psi4/cc/cceom/cc2_hbar_extra.cc
  124. +12 −12 psi4/src/psi4/cc/cceom/cceom.cc
  125. +1 −1 psi4/src/psi4/cc/cceom/dgeev_eom.cc
  126. +6 −6 psi4/src/psi4/cc/cceom/diag.cc
  127. +1 −1 psi4/src/psi4/cc/cceom/get_moinfo.cc
  128. +1 −1 psi4/src/psi4/cc/cceom/hbar_extra.cc
  129. +2 −2 psi4/src/psi4/cc/cceom/local.cc
  130. +1 −1 psi4/src/psi4/cc/cceom/local_guess.cc
  131. +1 −1 psi4/src/psi4/cc/cceom/read_guess.cc
  132. +1 −1 psi4/src/psi4/cc/cceom/sort_amps.cc
  133. +1 −1 psi4/src/psi4/cc/cchbar/F.cc
  134. +4 −4 psi4/src/psi4/cc/cchbar/Fai.cc
  135. +1 −1 psi4/src/psi4/cc/cchbar/HET1_Wabef.cc
  136. +8 −8 psi4/src/psi4/cc/cchbar/Wabei.cc
  137. +3 −3 psi4/src/psi4/cc/cchbar/Wabei_AAAA_UHF.cc
  138. +1 −1 psi4/src/psi4/cc/cchbar/Wabei_ABAB_UHF.cc
  139. +1 −1 psi4/src/psi4/cc/cchbar/Wabei_BABA_UHF.cc
  140. +3 −3 psi4/src/psi4/cc/cchbar/Wabei_BBBB_UHF.cc
  141. +3 −3 psi4/src/psi4/cc/cchbar/Wabei_RHF.cc
  142. +1 −1 psi4/src/psi4/cc/cchbar/Wabei_RHF_FT2_a.cc
  143. +1 −1 psi4/src/psi4/cc/cchbar/Wabei_ROHF.cc
  144. +23 −23 psi4/src/psi4/cc/cchbar/Wabij.cc
  145. +1 −1 psi4/src/psi4/cc/cchbar/Wamef.cc
  146. +1 −1 psi4/src/psi4/cc/cchbar/Wmbej.cc
  147. +1 −1 psi4/src/psi4/cc/cchbar/Wmbij.cc
  148. +2 −2 psi4/src/psi4/cc/cchbar/Wmnie.cc
  149. +3 −3 psi4/src/psi4/cc/cchbar/cc2_Wabei.cc
  150. +1 −1 psi4/src/psi4/cc/cchbar/cc2_Wmbej.cc
  151. +3 −3 psi4/src/psi4/cc/cchbar/cc2_Wmbij.cc
  152. +1 −1 psi4/src/psi4/cc/cchbar/cc2_Zmbej.cc
  153. +6 −6 psi4/src/psi4/cc/cchbar/cc3_HET1.cc
  154. +24 −24 psi4/src/psi4/cc/cchbar/cchbar.cc
  155. +1 −1 psi4/src/psi4/cc/cchbar/get_moinfo.cc
  156. +1 −1 psi4/src/psi4/cc/cchbar/norm_HET1.cc
  157. +2 −2 psi4/src/psi4/cc/cchbar/purge.cc
  158. +7 −7 psi4/src/psi4/cc/cchbar/reference.cc
  159. +1 −1 psi4/src/psi4/cc/cchbar/sort_amps.cc
  160. +1 −1 psi4/src/psi4/cc/cchbar/tau.cc
  161. +1 −1 psi4/src/psi4/cc/cchbar/taut.cc
  162. +1 −1 psi4/src/psi4/cc/cclambda/cc2_hbar_extra.cc
  163. +1 −1 psi4/src/psi4/cc/cclambda/cc3_l3l1.cc
  164. +5 −5 psi4/src/psi4/cc/cclambda/cc3_l3l2.cc
  165. +1 −1 psi4/src/psi4/cc/cclambda/cc3_t3x.cc
  166. +5 −5 psi4/src/psi4/cc/cclambda/cc3_t3z.cc
  167. +11 −11 psi4/src/psi4/cc/cclambda/cclambda.cc
  168. +1 −1 psi4/src/psi4/cc/cclambda/get_moinfo.cc
  169. +1 −1 psi4/src/psi4/cc/cclambda/hbar_extra.cc
  170. +2 −2 psi4/src/psi4/cc/cclambda/local.cc
  171. +1 −1 psi4/src/psi4/cc/cclambda/spinad_amps.cc
  172. +1 −1 psi4/src/psi4/cc/cclambda/update.cc
  173. +2 −2 psi4/src/psi4/cc/ccresponse/analyze.cc
  174. +1 −1 psi4/src/psi4/cc/ccresponse/cc2_hbar_extra.cc
  175. +17 −17 psi4/src/psi4/cc/ccresponse/ccresponse.cc
  176. +2 −2 psi4/src/psi4/cc/ccresponse/compute_X.cc
  177. +1 −1 psi4/src/psi4/cc/ccresponse/get_moinfo.cc
  178. +1 −1 psi4/src/psi4/cc/ccresponse/hbar_extra.cc
  179. +1 −1 psi4/src/psi4/cc/ccresponse/lambda_residuals.cc
  180. +2 −2 psi4/src/psi4/cc/ccresponse/local.cc
  181. +1 −1 psi4/src/psi4/cc/ccresponse/polar.cc
  182. +1 −1 psi4/src/psi4/cc/ccresponse/roa.cc
  183. +1 −1 psi4/src/psi4/cc/ccresponse/scatter2.cc
  184. +1 −1 psi4/src/psi4/cc/ccresponse/sort_lamps.cc
  185. +1 −1 psi4/src/psi4/cc/cctriples/ET_AAA.cc
  186. +1 −1 psi4/src/psi4/cc/cctriples/ET_AAB.cc
  187. +1 −1 psi4/src/psi4/cc/cctriples/ET_ABB.cc
  188. +1 −1 psi4/src/psi4/cc/cctriples/ET_BBB.cc
  189. +1 −1 psi4/src/psi4/cc/cctriples/ET_RHF.cc
  190. +1 −1 psi4/src/psi4/cc/cctriples/ET_UHF_AAA.cc
  191. +1 −1 psi4/src/psi4/cc/cctriples/ET_UHF_AAB.cc
  192. +1 −1 psi4/src/psi4/cc/cctriples/ET_UHF_ABB.cc
  193. +1 −1 psi4/src/psi4/cc/cctriples/ET_UHF_BBB.cc
  194. +1 −1 psi4/src/psi4/cc/cctriples/EaT_RHF.cc
  195. +1 −1 psi4/src/psi4/cc/cctriples/T3_grad_RHF.cc
  196. +1 −1 psi4/src/psi4/cc/cctriples/T3_grad_UHF_AAA.cc
  197. +1 −1 psi4/src/psi4/cc/cctriples/T3_grad_UHF_AAB.cc
  198. +1 −1 psi4/src/psi4/cc/cctriples/T3_grad_UHF_BBA.cc
  199. +1 −1 psi4/src/psi4/cc/cctriples/T3_grad_UHF_BBB.cc
  200. +1 −1 psi4/src/psi4/cc/cctriples/count_ijk.cc
  201. +1 −1 psi4/src/psi4/cc/cctriples/get_moinfo.cc
  202. +22 −22 psi4/src/psi4/cc/cctriples/triples.cc
  203. +85 −85 psi4/src/psi4/cc/ccwave.h
@@ -42,7 +42,7 @@
namespace psi {
namespace ccdensity {
void G_build(void) {
void G_build() {
dpdbuf4 LIJAB, Lijab, LiJaB, LIjAb, LijAB, LIJab;
dpdbuf4 tIJAB, tijab, tiJaB, tIjAb, tijAB, tIJab;
dpdfile2 GAE, Gae, GMI, Gmi;
@@ -41,7 +41,7 @@
namespace psi {
namespace ccdensity {
void G_norm(void) {
void G_norm() {
dpdfile2 G1;
dpdbuf4 G;
double value, value1, dot_IA, dot_ia, dot_AI, dot_ai;
@@ -41,7 +41,7 @@
namespace psi {
namespace ccdensity {
void Gabcd(void) {
void Gabcd() {
dpdbuf4 G, L, T;
int G_irr;
G_irr = params.G_irr;
@@ -42,7 +42,7 @@
namespace psi {
namespace ccdensity {
void Gciab(void) {
void Gciab() {
int h, nirreps, a, b, c, i, A, B, C, I, Asym, Bsym, Csym, Isym, row, col;
double value;
dpdfile2 L1, T1, g;
@@ -68,7 +68,7 @@ namespace ccdensity {
** backtransformation) after all contributions have been accounted
** for. */
void Gibja(void) {
void Gibja() {
int h, nirreps, row, col;
int i, j, a, b, I, J, A, B, Isym, Jsym, Asym, Bsym;
dpdfile2 T1, L1, T1A, T1B, L1A, L1B;
@@ -39,11 +39,11 @@
namespace psi {
namespace ccdensity {
void Gijab_RHF(void);
void Gijab_ROHF(void);
void Gijab_UHF(void);
void Gijab_RHF();
void Gijab_ROHF();
void Gijab_UHF();
void Gijab(void) {
void Gijab() {
if (params.ref == 0)
Gijab_RHF();
else if (params.ref == 1)
@@ -41,7 +41,7 @@
namespace psi {
namespace ccdensity {
void Gijab_RHF(void) {
void Gijab_RHF() {
int h, nirreps, i, a, m, e, I, A, M, E, Isym, Asym, Msym, Esym, row, col;
int j, b, J, B, Jsym, Bsym;
double value;
@@ -41,7 +41,7 @@
namespace psi {
namespace ccdensity {
void Gijab_ROHF(void) {
void Gijab_ROHF() {
int h, nirreps, i, a, m, e, I, A, M, E, Isym, Asym, Msym, Esym, row, col;
int j, b, J, B, Jsym, Bsym;
double value;
@@ -42,7 +42,7 @@
namespace psi {
namespace ccdensity {
void Gijab_UHF(void) {
void Gijab_UHF() {
int h, nirreps, i, a, m, e, I, A, M, E, Isym, Asym, Msym, Esym, row, col;
int j, b, J, B, Jsym, Bsym;
double value;
@@ -42,7 +42,7 @@
namespace psi {
namespace ccdensity {
void Gijka(void) {
void Gijka() {
int h, nirreps, i, j, k, a, I, J, K, A, Isym, Jsym, Ksym, Asym, row, col;
double value;
dpdfile2 L1, T1, g;
@@ -41,7 +41,7 @@
namespace psi {
namespace ccdensity {
void Gijkl(void) {
void Gijkl() {
dpdbuf4 V, G;
int G_irr;
G_irr = params.G_irr;
@@ -41,7 +41,7 @@
namespace psi {
namespace ccdensity {
void V_build(void) {
void V_build() {
dpdbuf4 V, L, T;
int G_irr;
G_irr = params.G_irr;
@@ -41,7 +41,7 @@
namespace psi {
namespace ccdensity {
void V_cc2(void) {
void V_cc2() {
dpdbuf4 V, L, T;
int G_irr;
G_irr = params.G_irr;
@@ -42,11 +42,11 @@ namespace ccdensity {
/* BUILD_A(): Construct the molecular orbital Hessian, A.
** */
void build_A_RHF(void);
void build_A_ROHF(void);
void build_A_UHF(void);
void build_A_RHF();
void build_A_ROHF();
void build_A_UHF();
void build_A(void) {
void build_A() {
if (params.ref == 0)
build_A_RHF();
else if (params.ref == 1)
@@ -51,7 +51,7 @@ namespace ccdensity {
**
** */
void build_A_RHF(void) {
void build_A_RHF() {
int h, nirreps, e, m, a, i, em, ai, E, M, A, I;
int Esym, Msym, Asym, Isym;
dpdfile2 fIJ, fAB;
@@ -53,7 +53,7 @@ namespace ccdensity {
**
** */
void build_A_ROHF(void) {
void build_A_ROHF() {
int h, nirreps, e, m, a, i, em, ai, E, M, A, I;
int Esym, Msym, Asym, Isym;
int *virtpi, *openpi, *occpi, *occ_off, *vir_off;
@@ -54,7 +54,7 @@ namespace ccdensity {
** TDC, January 2003
*/
void build_A_UHF(void) {
void build_A_UHF() {
int h, nirreps, row, col;
int a, i, b, j;
int A, I, B, J;
@@ -50,7 +50,7 @@ namespace ccdensity {
** Xai = I'ia - I'ai
** */
void build_X(void) {
void build_X() {
dpdfile2 X, I, I1, I2, I3, F, F1, X2;
dpdbuf4 E, Fi;
@@ -49,11 +49,11 @@ namespace ccdensity {
**
*/
void build_Z_RHF(void);
void build_Z_ROHF(void);
void build_Z_UHF(void);
void build_Z_RHF();
void build_Z_ROHF();
void build_Z_UHF();
void build_Z(void) {
void build_Z() {
if (params.ref == 0)
build_Z_RHF();
else if (params.ref == 1)
@@ -54,7 +54,7 @@ namespace ccdensity {
**
*/
void build_Z_RHF(void) {
void build_Z_RHF() {
dpdbuf4 A;
dpdfile2 X1, D;
double *X;
@@ -53,7 +53,7 @@ namespace ccdensity {
**
*/
void build_Z_ROHF(void) {
void build_Z_ROHF() {
dpdbuf4 A;
dpdfile2 X1, D;
double **X, **T, **Y, **Z;
@@ -60,7 +60,7 @@ namespace ccdensity {
**
*/
void build_Z_UHF(void) {
void build_Z_UHF() {
dpdbuf4 A_AA, A_BB, A_AB;
dpdfile2 X, D;
double **A, *Z;
@@ -58,25 +58,25 @@ namespace psi {
class Molecule;
namespace ccdensity {
void init_io(void);
void title(void);
void init_io();
void title();
void get_moinfo(std::shared_ptr<Wavefunction> wfn);
void get_frozen(void);
void get_frozen();
void get_params(Options &options);
void exit_io(void);
void exit_io();
void onepdm(struct RHO_Params);
void sortone(struct RHO_Params);
void twopdm(void);
void twopdm();
void energy(struct RHO_Params);
// void resort_tei(void);
// void resort_gamma(void);
// void resort_tei();
// void resort_gamma();
void lag(struct RHO_Params rho_params);
void build_X(void);
void build_A(void);
void build_Z(void);
void relax_I(void);
void build_X();
void build_A();
void build_Z();
void relax_I();
void relax_D(struct RHO_Params rho_params);
void sortI(void);
void sortI();
void fold(struct RHO_Params rho_params);
void deanti(struct RHO_Params rho_params);
void add_ref_RHF(struct iwlbuf *);
@@ -88,45 +88,45 @@ void dump_RHF(struct iwlbuf *, struct RHO_Params rho_params);
void dump_ROHF(struct iwlbuf *, struct RHO_Params rho_params);
void dump_UHF(struct iwlbuf *, struct iwlbuf *, struct iwlbuf *, struct RHO_Params rho_params);
void kinetic(std::shared_ptr<Wavefunction> wfn);
void probable(void);
void probable();
int **cacheprep_rhf(int level, int *cachefiles);
int **cacheprep_uhf(int level, int *cachefiles);
void cachedone_rhf(int **cachelist);
void cachedone_uhf(int **cachelist);
void setup_LR(struct RHO_Params);
void G_build(void);
void G_build();
void x_oe_intermediates(struct RHO_Params);
void x_onepdm(struct RHO_Params);
void x_te_intermediates(void);
void x_Gijkl(void);
void x_Gabcd(void);
void x_Gibja(void);
void x_Gijka(void);
void x_Gijab(void);
void x_Gciab(void);
void V_build_x(void);
void x_xi1(void);
void x_xi_zero(void);
void x_xi2(void);
void x_xi_oe_intermediates(void);
// void G_norm(void);
void x_te_intermediates();
void x_Gijkl();
void x_Gabcd();
void x_Gibja();
void x_Gijka();
void x_Gijab();
void x_Gciab();
void V_build_x();
void x_xi1();
void x_xi_zero();
void x_xi2();
void x_xi_oe_intermediates();
// void G_norm();
void zero_onepdm(struct RHO_Params rho_params);
void zero_twopdm(void);
void zero_twopdm();
void get_rho_params(Options &options);
void get_td_params(Options &options);
void td_setup(struct TD_Params S);
void tdensity(struct TD_Params S);
void td_print(void);
void td_print();
void oscillator_strength(std::shared_ptr<Wavefunction> wfn, struct TD_Params *S);
void rotational_strength(MintsHelper &mints, struct TD_Params *S);
void ael(struct RHO_Params *rho_params);
void cleanup(void);
void td_cleanup(void);
void cleanup();
void td_cleanup();
void x_oe_intermediates_rhf(struct RHO_Params rho_params);
void x_te_intermediates_rhf(void);
void x_xi_intermediates(void);
void V_build(void);
void V_cc2(void);
void x_te_intermediates_rhf();
void x_xi_intermediates();
void V_build();
void V_cc2();
void ex_tdensity(char hand, struct TD_Params S, struct TD_Params U);
void ex_td_setup(struct TD_Params S, struct TD_Params U);
void ex_td_cleanup();
@@ -544,7 +544,7 @@ PsiReturnType ccdensity(std::shared_ptr<Wavefunction> ref_wfn, Options &options)
}
// must be fixed with options for excited state densities
void init_io(void) {
void init_io() {
int i, num_unparsed;
char *argv_unparsed[100];
@@ -596,7 +596,7 @@ void init_io(void) {
psio_open(PSIF_EOM_TMP0, PSIO_OPEN_NEW);
}
void title(void) {
void title() {
outfile->Printf("\n");
outfile->Printf("\t\t\t**************************\n");
outfile->Printf("\t\t\t* *\n");
@@ -606,7 +606,7 @@ void title(void) {
outfile->Printf("\n");
}
void exit_io(void) {
void exit_io() {
int i;
/* delete temporary EOM files */
@@ -45,7 +45,7 @@ namespace ccdensity {
void classify(int p, int q, int r, int s, double value, struct iwlbuf *ABuf, struct iwlbuf *BBuf, struct iwlbuf *CBuf,
struct iwlbuf *DBuf, struct iwlbuf *EBuf, struct iwlbuf *FBuf);
void distribute(void) {
void distribute() {
double tolerance;
struct iwlbuf InBuf;
struct iwlbuf ABuf, BBuf, CBuf, DBuf, EBuf, FBuf;
@@ -42,7 +42,7 @@
namespace psi {
namespace ccdensity {
void ex_td_cleanup(void) {
void ex_td_cleanup() {
/*
* Clean out these files between computing x_ltd and x_rtd,
* because LHS and RHS eigenvectors change (get swapped).
@@ -49,7 +49,7 @@ namespace ccdensity {
** TDC, March 2000.
*/
void get_frozen(void) {
void get_frozen() {
int i, nfzc;
frozen.nfzc = moinfo.nfzc;
@@ -249,7 +249,7 @@ void get_moinfo(std::shared_ptr<Wavefunction> wfn) {
}
/* Frees memory allocated in get_moinfo(). */
void cleanup(void) {
void cleanup() {
int i;
free(moinfo.orbspi);
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