From c2bbae93e7b9b803999e0d53af57ce83c6f83b39 Mon Sep 17 00:00:00 2001 From: Panadestein Date: Mon, 4 Jan 2021 16:45:32 +0100 Subject: [PATCH] Fixed printing --- deriv_num | Bin 72400 -> 72400 bytes deriv_num.irp.f | 2 +- jastrow | Bin 76968 -> 76904 bytes jastrow.irp.f | 1 + jastrow_provider.irp.f | 4 ---- 5 files changed, 2 insertions(+), 5 deletions(-) diff --git a/deriv_num b/deriv_num index 064ef5ba75a8a6e121337bdf64e37b1f30b9baf7..2430595f85e62e10fe528ebac021147f03398ec8 100755 GIT binary patch delta 7655 zcmZu$3s_Xu+TI&k2IV*)qM#0-qG3p4i6_cYr%*S?$tz@9Cn1rntnd%QdO8gy<7wQE zlFO5)e)X7{m$XpE%=DbZIJNVXzhDXGrL3$r-tc~_-2eOS+W=4dd7SUE-u12b`_^SI zw)G!G)_)MWIZBMqS}*8NRw!1i6T5cyA053Y`NolP?|S#9mUMWnF=OGfkQ%X|vv?bS zHnwln{I!B01s%@N%Gl$g*n`iDdrI6CIv4jhQA`azAAdeg^n_*)SE9t{LqoYro=38$!ueP%Zag{XhRFovUKR~18*GhXRY=Id@{r)*k zlTabk25K?JGEsBQVbz@ms>HN`iVmX=O*M$9e}B%W2RmUp0DC(OTWAG)#t2p!4(3J& zbI3kcuv`O`6ppnlOn;U|zpsIsYuY{x*${@UwP3%O>BMSG8>o$#GIPim&Dm3%4Aer? 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a/deriv_num.irp.f b/deriv_num.irp.f index 8debb1c..e5a3ddc 100644 --- a/deriv_num.irp.f +++ b/deriv_num.irp.f @@ -37,6 +37,7 @@ print *, '' SUBST [X, Y, Z] factor_ee ; ; 1;; END_TEMPLATE + !factor_een ; ; 1;; !rescale_een_e ; (1,3,1) ; 1,3,1 ;; !rescale_een_n ; (1,1,2) ; 1,1,2 ;; @@ -48,5 +49,4 @@ END_TEMPLATE !elnuc_dist ; (1,1); 1,1 ;; !elec_dist ; (1,2); 1,2 ;; - end program diff --git a/jastrow b/jastrow index 0f6c31a32234316b9569a4e608fc909445f1da74..1f5540fc295985d47b1bcd3617c7ba27ae5d4602 100755 GIT binary patch literal 76904 zcmeFadtj8s_5YtGd2CeT221>)5{dr{^n8-dqg(9sM}Nu;|6m%EmDRaJ|C8To5FNM& z!fPpLPxwpsLVv+t=x6SQz7Tv7|JwhygVf$kDvm}+VM%8SR0%NjLt)RufF-JQSO`DTJM=;k}~lZ!8M@CzwVKNs)D*Y7rHGsmUR zADhzfG|c-Y)9}vJZql};;X8WNSy^pq_+T2oi_;#Mav(dgC=KthY7&am@ahTo*E0?8 z&Y?={lZJPuc9W$t4X?W0UpNi#%1CJg)A0Md#DukJcskPijYz{E;9=>%G`u_aDtSU0 z-gP~MpOl7Ax2Mz6@V^wH^P7=|*WBy=W~Jc^TqNPWY50TE@N?4e|CNUSAMk%9@IMmx z9|`=A1pePj;G5uKKZF~<%niq^Ra>*N!p$x99d@q?H!jOvYAW7c_7Uja-9F)O@bF3? 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a/jastrow.irp.f +++ b/jastrow.irp.f @@ -2,5 +2,6 @@ program jastrow implicit none print *, 'The total Jastrow factor' print *, jastrow_full + !PROVIDE jastrow_full end program diff --git a/jastrow_provider.irp.f b/jastrow_provider.irp.f index d66a07e..1a65d05 100644 --- a/jastrow_provider.irp.f +++ b/jastrow_provider.irp.f @@ -9,10 +9,6 @@ BEGIN_PROVIDER [ double precision, jastrow_full ] print *, "J_en = ", factor_en print *, "J_een = ", factor_een print *, "J = J_ee + J_en + J_een = ", factor_ee + factor_en + factor_een - print *, "\nabla_ix J_een", factor_een_deriv_e(1, :) - print *, "\nabla_iy J_een", factor_een_deriv_e(2, :) - print *, "\nabla_iz J_een", factor_een_deriv_e(3, :) - print *, "\nabla_i^2 J_een", factor_een_deriv_e(4, :) jastrow_full = dexp(factor_ee + factor_en + factor_een)